2-carbamoyl-3-phenylbenzoic acid;ethanamine

C16H18N2O3 — CID 175433924

IUPAC2-carbamoyl-3-phenylbenzoic acid;ethanamine
SMILESCCN.NC(=O)c1c(C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C14H11NO3.C2H7N/c15-13(16)12-10(9-5-2-1-3-6-9)7-4-8-11(12)14(17)18;1-2-3/h1-8H,(H2,15,16)(H,17,18);2-3H2,1H3
InChIKeyWDEFTJGMIMFRAK-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.12
Rot. Bonds3

About 2-carbamoyl-3-phenylbenzoic acid;ethanamine

2-carbamoyl-3-phenylbenzoic acid;ethanamine (PubChem CID 175433924) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-carbamoyl-3-phenylbenzoic acid;ethanamine.

Molecular Properties

Compound Name2-carbamoyl-3-phenylbenzoic acid;ethanamine
PubChem CID175433924
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-carbamoyl-3-phenylbenzoic acid;ethanamine
SMILESCCN.NC(=O)c1c(C(=O)O)cccc1-c1ccccc1
InChIInChI=1S/C14H11NO3.C2H7N/c15-13(16)12-10(9-5-2-1-3-6-9)7-4-8-11(12)14(17)18;1-2-3/h1-8H,(H2,15,16)(H,17,18);2-3H2,1H3
InChIKeyWDEFTJGMIMFRAK-UHFFFAOYSA-N
XLogP2.12
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamoyl-3-phenylbenzoic acid;N',N'-dimethylethane-1,2-diamine
CID 175433920
3-phenylphthalic acid;dihydrobromide
CID 67683459
3-phenyl-2-sulfanylcarbonylbenzoic acid
CID 88677221
hexan-1-ol;3-phenylphthalic acid
CID 175451457
anthracene;3-phenylphthalic acid
CID 161382372
2-phenyl-6-propoxybenzamide
CID 57275841
2H-benzotriazole;3-phenylphthalic acid
CID 175494316
3-(4-aminophenyl)phthalic acid
CID 150193527
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432
3-amino-2-(2-phenylbenzoyl)benzoic acid
CID 70111879
2-N-(1-hydroxy-2-methylpropan-2-yl)-3-phenylbenzene-1,2-dicarboxamide
CID 141058032
3-butyl-2-carbamoylbenzoic acid
CID 20544630

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-3-phenylbenzoic acid;ethanamine?
The IUPAC name of 2-carbamoyl-3-phenylbenzoic acid;ethanamine (CID 175433924) is 2-carbamoyl-3-phenylbenzoic acid;ethanamine.
What is the SMILES notation for 2-carbamoyl-3-phenylbenzoic acid;ethanamine?
The canonical SMILES for 2-carbamoyl-3-phenylbenzoic acid;ethanamine is CCN.NC(=O)c1c(C(=O)O)cccc1-c1ccccc1.
What is the InChIKey of 2-carbamoyl-3-phenylbenzoic acid;ethanamine?
The InChIKey is WDEFTJGMIMFRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3.C2H7N/c15-13(16)12-10(9-5-2-1-3-6-9)7-4-8-11(12)14(17)18;1-2-3/h1-8H,(H2,15,16)(H,17,18);2-3H2,1H3.
What are the key properties of 2-carbamoyl-3-phenylbenzoic acid;ethanamine?
2-carbamoyl-3-phenylbenzoic acid;ethanamine has a molecular weight of 286.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-3-phenylbenzoic acid;ethanamine is sourced from PubChem (CID 175433924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).