N-benzyl-3-(3,5-dichloroanilino)propanamide

C16H16Cl2N2O — CID 109018893

IUPACN-benzyl-3-(3,5-dichloroanilino)propanamide
SMILESO=C(CCNc1cc(Cl)cc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-13-8-14(18)10-15(9-13)19-7-6-16(21)20-11-12-4-2-1-3-5-12/h1-5,8-10,19H,6-7,11H2,(H,20,21)
InChIKeyNPOFHTXEGQYLKZ-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.11
Rot. Bonds6

About N-benzyl-3-(3,5-dichloroanilino)propanamide

N-benzyl-3-(3,5-dichloroanilino)propanamide (PubChem CID 109018893) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-benzyl-3-(3,5-dichloroanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(3,5-dichloroanilino)propanamide
PubChem CID109018893
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-benzyl-3-(3,5-dichloroanilino)propanamide
SMILESO=C(CCNc1cc(Cl)cc(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-13-8-14(18)10-15(9-13)19-7-6-16(21)20-11-12-4-2-1-3-5-12/h1-5,8-10,19H,6-7,11H2,(H,20,21)
InChIKeyNPOFHTXEGQYLKZ-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
3-anilino-N-[(4-methylphenyl)methyl]propanamide
CID 109019803
N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021782
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616
3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
N-benzyl-4,4-dimethylpentanamide
CID 59836653
N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
CID 109021721
N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,5-dichloroanilino)propanamide?
The IUPAC name of N-benzyl-3-(3,5-dichloroanilino)propanamide (CID 109018893) is N-benzyl-3-(3,5-dichloroanilino)propanamide.
What is the SMILES notation for N-benzyl-3-(3,5-dichloroanilino)propanamide?
The canonical SMILES for N-benzyl-3-(3,5-dichloroanilino)propanamide is O=C(CCNc1cc(Cl)cc(Cl)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(3,5-dichloroanilino)propanamide?
The InChIKey is NPOFHTXEGQYLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-13-8-14(18)10-15(9-13)19-7-6-16(21)20-11-12-4-2-1-3-5-12/h1-5,8-10,19H,6-7,11H2,(H,20,21).
What are the key properties of N-benzyl-3-(3,5-dichloroanilino)propanamide?
N-benzyl-3-(3,5-dichloroanilino)propanamide has a molecular weight of 323.22 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,5-dichloroanilino)propanamide is sourced from PubChem (CID 109018893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).