[3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid

C14H21ClNO4P — CID 162738984

IUPAC[3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid
SMILESCC(C)CC(CCP(=O)(O)O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClNO4P/c1-10(2)9-11(7-8-21(18,19)20)14(17)16-13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)(H2,18,19,20)
InChIKeyGZTVQNFVFXWYNZ-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.51
Rot. Bonds7

About [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid

[3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid (PubChem CID 162738984) has the molecular formula C14H21ClNO4P and a molecular weight of 333.75 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid
PubChem CID162738984
Molecular FormulaC14H21ClNO4P
Molecular Weight333.75 g/mol
Exact Mass333.09
IUPAC Name[3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid
SMILESCC(C)CC(CCP(=O)(O)O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClNO4P/c1-10(2)9-11(7-8-21(18,19)20)14(17)16-13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)(H2,18,19,20)
InChIKeyGZTVQNFVFXWYNZ-UHFFFAOYSA-N
XLogP3.51
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid 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

1-(2-acetyl-4-methylpentyl)-3-(4-chlorophenyl)urea
CID 158191515
(2R)-6-methyl-N-[4-[[(2R)-6-methyl-2-(2-methylpropyl)-4-oxoheptanoyl]amino]phenyl]-2-(2-methylpropyl)-4-oxoheptanamide
CID 157220941
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2R)-N-(4-chlorophenyl)-2-(2,2-dimethylpropanoylamino)oxy-4-methylpentanamide
CID 11121385
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282
2-chloro-N-(4-chlorophenyl)-3-oxobutanamide
CID 2778503
4-(4-chloroanilino)-3-[(4-chlorophenyl)methyl]-4-oxobutanoic acid
CID 3122015
N-(4-chlorophenyl)-2,2-bis[di(propan-2-yloxy)phosphoryl]acetamide
CID 23164906
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid?
The IUPAC name of [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid (CID 162738984) is [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid.
What is the SMILES notation for [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid?
The canonical SMILES for [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid is CC(C)CC(CCP(=O)(O)O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid?
The InChIKey is GZTVQNFVFXWYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClNO4P/c1-10(2)9-11(7-8-21(18,19)20)14(17)16-13-5-3-12(15)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)(H2,18,19,20).
What are the key properties of [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid?
[3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid has a molecular weight of 333.75 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)carbamoyl]-5-methylhexyl]phosphonic acid is sourced from PubChem (CID 162738984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).