4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid

C14H18ClNO3 — CID 112701096

IUPAC4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C(=O)NC(C)(C)CCC(=O)O)ccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-9-8-10(4-5-11(9)15)13(19)16-14(2,3)7-6-12(17)18/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyOXIZSTDLIKBTJZ-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.02
Rot. Bonds5

About 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid

4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid (PubChem CID 112701096) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
PubChem CID112701096
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C(=O)NC(C)(C)CCC(=O)O)ccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-9-8-10(4-5-11(9)15)13(19)16-14(2,3)7-6-12(17)18/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyOXIZSTDLIKBTJZ-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832798
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119204560
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
4-[(3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 62042184
4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
CID 113397105
4-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 62041752
4-[(3-hydroxy-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 79725836
4-[[4-(dimethylamino)benzoyl]amino]-4-methylpentanoic acid
CID 62044369
4-[(4-acetamidobenzoyl)amino]-4-methylpentanoic acid
CID 62042412

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid (CID 112701096) is 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid is Cc1cc(C(=O)NC(C)(C)CCC(=O)O)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is OXIZSTDLIKBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-9-8-10(4-5-11(9)15)13(19)16-14(2,3)7-6-12(17)18/h4-5,8H,6-7H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid?
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 283.75 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 112701096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).