2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid

C16H16N2O3 — CID 6605254

IUPAC2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-11-4-2-3-5-14(11)18-16(21)17-13-8-6-12(7-9-13)10-15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyDDKMATGXLMCTOX-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.27
Rot. Bonds4

About 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid

2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid (PubChem CID 6605254) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
PubChem CID6605254
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H16N2O3/c1-11-4-2-3-5-14(11)18-16(21)17-13-8-6-12(7-9-13)10-15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyDDKMATGXLMCTOX-UHFFFAOYSA-N
XLogP3.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Actarit
CID 2018
2-Anilinophenylacetic acid
CID 854057
2-[4-(Carbamoylamino)phenyl]propanoic acid
CID 12436937
3-(4-{2-Oxo-3-[4-(3-o-tolyl-ureido)phenyl]-2H-pyridin-1-ylmethyl}phenyl)-propionic acid
CID 9848051
3-(3-{[3-(4-{[(2-Methylphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}phenyl)propanoic acid
CID 9982665
2-[(2,6-Dimethylphenyl]amino]phenylacetic acid
CID 14762941
3-[4-(Benzylamino)phenyl]propanoic acid
CID 23346507
[4-(3-Adamantan-1-yl-ureido)-phenyl]-acetic acid
CID 44582486
3-{[(4-Methylphenyl)carbamoyl]amino}benzoic acid
CID 4061431
2-[4-(Dimethylcarbamoylamino)phenyl]propanoic acid
CID 139597591
3-{4-[3-(4-{[(2-Methylphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]phenyl}propanoic acid
CID 23647520
2-(4-{[3-(4-{[(2-Methylphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}phenyl)acetic acid
CID 23647522

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid (CID 6605254) is 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid is Cc1ccccc1NC(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?
The InChIKey is DDKMATGXLMCTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-4-2-3-5-14(11)18-16(21)17-13-8-6-12(7-9-13)10-15(19)20/h2-9H,10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid?
2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid has a molecular weight of 284.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 6605254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).