N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide

C20H31Cl2NO — CID 71106725

IUPACN-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC
InChIInChI=1S/C20H31Cl2NO/c1-4-7-10-17(11-8-5-2)23(20(24)9-6-3)15-16-12-13-18(21)19(22)14-16/h12-14,17H,4-11,15H2,1-3H3
InChIKeyVRPLUKWFRPKNKN-UHFFFAOYSA-N
MW372.38 g/mol
LogP6.87
Rot. Bonds11

About N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide

N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide (PubChem CID 71106725) has the molecular formula C20H31Cl2NO and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide
PubChem CID71106725
Molecular FormulaC20H31Cl2NO
Molecular Weight372.38 g/mol
Exact Mass371.18
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide
SMILESCCCCC(CCCC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC
InChIInChI=1S/C20H31Cl2NO/c1-4-7-10-17(11-8-5-2)23(20(24)9-6-3)15-16-12-13-18(21)19(22)14-16/h12-14,17H,4-11,15H2,1-3H3
InChIKeyVRPLUKWFRPKNKN-UHFFFAOYSA-N
XLogP6.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide 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-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(3,4-dichlorophenyl)methyl]butanamide
CID 100590790
N-[(3,4-dichlorophenyl)methyl]-N-heptan-2-ylcarbamoyl iodide
CID 142120865
2-[butanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132763541
N-butyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]butanamide
CID 132716707
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(3,4-dichlorophenyl)methyl]-4-phenoxybutanamide
CID 132721105
(2S)-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propylpropanamide
CID 100508823
(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide
CID 100596073
N-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N-propan-2-ylbutanamide
CID 62837617
(2R)-N-butyl-2-[3-(2-chlorophenyl)propanoyl-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100696634
N-butyl-2-[4-(4-chlorophenoxy)butanoyl-[(3,4-dichlorophenyl)methyl]amino]butanamide
CID 132729227
N-butyl-2-[(3,4-dichlorophenyl)methyl-[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132735262
2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylbutanamide
CID 132670478

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide (CID 71106725) is N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide is CCCCC(CCCC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide?
The InChIKey is VRPLUKWFRPKNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31Cl2NO/c1-4-7-10-17(11-8-5-2)23(20(24)9-6-3)15-16-12-13-18(21)19(22)14-16/h12-14,17H,4-11,15H2,1-3H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide?
N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide has a molecular weight of 372.38 g/mol, XLogP of 6.87, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-nonan-5-ylbutanamide is sourced from PubChem (CID 71106725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).