N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide

C20H21ClN2O3 — CID 113130651

IUPACN-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
SMILESCC(=O)c1cccc(N(CCC(=O)NCc2ccccc2Cl)C(C)=O)c1
InChIInChI=1S/C20H21ClN2O3/c1-14(24)16-7-5-8-18(12-16)23(15(2)25)11-10-20(26)22-13-17-6-3-4-9-19(17)21/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)
InChIKeyWIHBCHDOHYETQJ-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.60
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide

N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide (PubChem CID 113130651) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
PubChem CID113130651
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
SMILESCC(=O)c1cccc(N(CCC(=O)NCc2ccccc2Cl)C(C)=O)c1
InChIInChI=1S/C20H21ClN2O3/c1-14(24)16-7-5-8-18(12-16)23(15(2)25)11-10-20(26)22-13-17-6-3-4-9-19(17)21/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)
InChIKeyWIHBCHDOHYETQJ-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113130211
methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176222
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
CID 113175577
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
CID 109021380
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide (CID 113130651) is N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide is CC(=O)c1cccc(N(CCC(=O)NCc2ccccc2Cl)C(C)=O)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide?
The InChIKey is WIHBCHDOHYETQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-14(24)16-7-5-8-18(12-16)23(15(2)25)11-10-20(26)22-13-17-6-3-4-9-19(17)21/h3-9,12H,10-11,13H2,1-2H3,(H,22,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide?
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide has a molecular weight of 372.85 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide is sourced from PubChem (CID 113130651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).