2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid

C14H19ClN2O3 — CID 107627767

IUPAC2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)Nc1cc(C)ccc1Cl)C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-4-14(5-2,12(18)19)17-13(20)16-11-8-9(3)6-7-10(11)15/h6-8H,4-5H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyZECMLADOYOCPTC-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.41
Rot. Bonds5

About 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid

2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid (PubChem CID 107627767) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid
PubChem CID107627767
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid
SMILESCCC(CC)(NC(=O)Nc1cc(C)ccc1Cl)C(=O)O
InChIInChI=1S/C14H19ClN2O3/c1-4-14(5-2,12(18)19)17-13(20)16-11-8-9(3)6-7-10(11)15/h6-8H,4-5H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyZECMLADOYOCPTC-UHFFFAOYSA-N
XLogP3.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-5-methylphenyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 107636358
2-[(4-chloro-3-cyanophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 139384614
2-ethyl-2-[(2-iodophenyl)carbamoylamino]butanoic acid
CID 79804632
2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]-2-ethylbutanoic acid
CID 107576346
2-[(3-chloro-5-fluorophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 107368764
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
2-[(2,3-difluorophenyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804061
ethyl 2-[(2-chloro-5-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 104918215
2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107634715
6-[(2-chloro-5-methylphenyl)carbamoylamino]hexanoic acid
CID 107627782
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
2-ethyl-2-[(4-fluoro-3-methylphenyl)carbamoylamino]butanoic acid
CID 79803594

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid (CID 107627767) is 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid is CCC(CC)(NC(=O)Nc1cc(C)ccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid?
The InChIKey is ZECMLADOYOCPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-4-14(5-2,12(18)19)17-13(20)16-11-8-9(3)6-7-10(11)15/h6-8H,4-5H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid?
2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid has a molecular weight of 298.77 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-methylphenyl)carbamoylamino]-2-ethylbutanoic acid is sourced from PubChem (CID 107627767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).