N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide

C16H15ClF2N2O — CID 109021782

IUPACN-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
SMILESO=C(CCNc1c(F)cccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF2N2O/c17-12-6-4-11(5-7-12)10-21-15(22)8-9-20-16-13(18)2-1-3-14(16)19/h1-7,20H,8-10H2,(H,21,22)
InChIKeyXLZMLGNNVPBVCY-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.74
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide

N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide (PubChem CID 109021782) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
PubChem CID109021782
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
SMILESO=C(CCNc1c(F)cccc1F)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF2N2O/c17-12-6-4-11(5-7-12)10-21-15(22)8-9-20-16-13(18)2-1-3-14(16)19/h1-7,20H,8-10H2,(H,21,22)
InChIKeyXLZMLGNNVPBVCY-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-[(2-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021465
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
CID 109021721
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
CID 109021695
N-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109021640
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244
N-benzyl-3-(3,5-dichloroanilino)propanamide
CID 109018893
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide (CID 109021782) is N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide is O=C(CCNc1c(F)cccc1F)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide?
The InChIKey is XLZMLGNNVPBVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c17-12-6-4-11(5-7-12)10-21-15(22)8-9-20-16-13(18)2-1-3-14(16)19/h1-7,20H,8-10H2,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide?
N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide has a molecular weight of 324.76 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide is sourced from PubChem (CID 109021782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).