[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate

C19H20Cl2N2O3 — CID 139916496

IUPAC[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate
SMILESCC(C)(COC(=O)Nc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-19(2,17(24)22-11-13-5-3-4-6-16(13)21)12-26-18(25)23-15-9-7-14(20)8-10-15/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySXOLYYQAJJIKCT-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.88
Rot. Bonds6

About [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate

[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate (PubChem CID 139916496) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate
PubChem CID139916496
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate
SMILESCC(C)(COC(=O)Nc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C19H20Cl2N2O3/c1-19(2,17(24)22-11-13-5-3-4-6-16(13)21)12-26-18(25)23-15-9-7-14(20)8-10-15/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySXOLYYQAJJIKCT-UHFFFAOYSA-N
XLogP4.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate 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

ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8646638
methyl 4-[[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108962747
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208
2,2,2-trifluoroethyl N-(4-chlorophenyl)carbamate
CID 9106578
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate (CID 139916496) is [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate is CC(C)(COC(=O)Nc1ccc(Cl)cc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate?
The InChIKey is SXOLYYQAJJIKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-19(2,17(24)22-11-13-5-3-4-6-16(13)21)12-26-18(25)23-15-9-7-14(20)8-10-15/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate?
[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate has a molecular weight of 395.29 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 139916496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).