3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide

C22H28ClFN2O3 — CID 4068330

IUPAC3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)C(C)(C)CCl
InChIInChI=1S/C22H28ClFN2O3/c1-16(2)26(21(28)22(3,4)15-23)14-20(27)25(13-19-6-5-11-29-19)12-17-7-9-18(24)10-8-17/h5-11,16H,12-15H2,1-4H3
InChIKeyRCAMEBFNDSGMFX-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.45
Rot. Bonds9

About 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide

3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide (PubChem CID 4068330) has the molecular formula C22H28ClFN2O3 and a molecular weight of 422.93 g/mol. Its IUPAC name is 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
PubChem CID4068330
Molecular FormulaC22H28ClFN2O3
Molecular Weight422.93 g/mol
Exact Mass422.18
IUPAC Name3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
SMILESCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)C(C)(C)CCl
InChIInChI=1S/C22H28ClFN2O3/c1-16(2)26(21(28)22(3,4)15-23)14-20(27)25(13-19-6-5-11-29-19)12-17-7-9-18(24)10-8-17/h5-11,16H,12-15H2,1-4H3
InChIKeyRCAMEBFNDSGMFX-UHFFFAOYSA-N
XLogP4.45
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 3433525
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 5169178
3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3355017
2-[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4278791
2-[(2,4-difluorophenyl)carbamoyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3586658
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4149991
ethyl 4-[[[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]benzoate
CID 42773525
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 4155856
3-chloro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 42770581
2-amino-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 39362089
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
CID 4193942
2-[acetyl(propyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42773488

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide (CID 4068330) is 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide is CC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
The InChIKey is RCAMEBFNDSGMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClFN2O3/c1-16(2)26(21(28)22(3,4)15-23)14-20(27)25(13-19-6-5-11-29-19)12-17-7-9-18(24)10-8-17/h5-11,16H,12-15H2,1-4H3.
What are the key properties of 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide?
3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide has a molecular weight of 422.93 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 4068330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).