5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid

C14H17ClN2O4 — CID 60940816

IUPAC5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H17ClN2O4/c1-17(2)14(21)9-6-7-10(15)11(8-9)16-12(18)4-3-5-13(19)20/h6-8H,3-5H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNHUIRKOOOSLKMI-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.24
Rot. Bonds6

About 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid

5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid (PubChem CID 60940816) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
PubChem CID60940816
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
SMILESCN(C)C(=O)c1ccc(Cl)c(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H17ClN2O4/c1-17(2)14(21)9-6-7-10(15)11(8-9)16-12(18)4-3-5-13(19)20/h6-8H,3-5H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNHUIRKOOOSLKMI-UHFFFAOYSA-N
XLogP2.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chloro-5-methoxycarbonylanilino)-6-oxohexanoic acid
CID 43579926
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353
(E)-4-[2-chloro-5-(dimethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 60940815
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
4-chloro-3-[[2-(2-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 38957066
3-(but-2-enoylamino)-4-chloro-N,N-dimethylbenzamide
CID 112727335
4-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoylamino]butanoic acid
CID 122079613
N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
CID 108807598
4-chloro-N,N-dimethyl-3-[[2-(2-methylpropylsulfonyl)acetyl]amino]benzamide
CID 86998308
4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide
CID 38955675
3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]-4-chloro-N,N-dimethylbenzamide
CID 38955785

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid (CID 60940816) is 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid is CN(C)C(=O)c1ccc(Cl)c(NC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid?
The InChIKey is NHUIRKOOOSLKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-17(2)14(21)9-6-7-10(15)11(8-9)16-12(18)4-3-5-13(19)20/h6-8H,3-5H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid?
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid has a molecular weight of 312.75 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 60940816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).