2-acetamido-5-(phenylcarbamoylamino)benzoic acid

C16H15N3O4 — CID 3020564

IUPAC2-acetamido-5-(phenylcarbamoylamino)benzoic acid
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H15N3O4/c1-10(20)17-14-8-7-12(9-13(14)15(21)22)19-16(23)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)(H,21,22)(H2,18,19,23)
InChIKeyCOOFKYGVLDDFCE-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.99
Rot. Bonds4

About 2-acetamido-5-(phenylcarbamoylamino)benzoic acid

2-acetamido-5-(phenylcarbamoylamino)benzoic acid (PubChem CID 3020564) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-acetamido-5-(phenylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-acetamido-5-(phenylcarbamoylamino)benzoic acid
PubChem CID3020564
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-acetamido-5-(phenylcarbamoylamino)benzoic acid
SMILESCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1C(=O)O
InChIInChI=1S/C16H15N3O4/c1-10(20)17-14-8-7-12(9-13(14)15(21)22)19-16(23)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)(H,21,22)(H2,18,19,23)
InChIKeyCOOFKYGVLDDFCE-UHFFFAOYSA-N
XLogP2.99
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(phenylcarbamoylamino)phenyl]acetamide
CID 113093680
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
2-acetamido-5-phenylbenzoic acid
CID 70700127
5-acetamido-2-(prop-2-enoylamino)benzoic acid
CID 24696899
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
2-acetamido-5-[(E)-2-phenylethenyl]benzoic acid
CID 18405742
2-acetamido-5-(2-phenylethenyl)benzoic acid
CID 70120363
5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid
CID 24705583
CID 170843062
CID 170843062
4-[(2-acetamidobenzoyl)amino]benzoic acid
CID 3729274
2-[(4-iodophenyl)carbamoylamino]-5-methylbenzoic acid
CID 63549498
5-acetamido-2-[2-(methylamino)propanoylamino]benzoic acid
CID 62638607

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-5-(phenylcarbamoylamino)benzoic acid?
The IUPAC name of 2-acetamido-5-(phenylcarbamoylamino)benzoic acid (CID 3020564) is 2-acetamido-5-(phenylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-acetamido-5-(phenylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-acetamido-5-(phenylcarbamoylamino)benzoic acid is CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1C(=O)O.
What is the InChIKey of 2-acetamido-5-(phenylcarbamoylamino)benzoic acid?
The InChIKey is COOFKYGVLDDFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10(20)17-14-8-7-12(9-13(14)15(21)22)19-16(23)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)(H,21,22)(H2,18,19,23).
What are the key properties of 2-acetamido-5-(phenylcarbamoylamino)benzoic acid?
2-acetamido-5-(phenylcarbamoylamino)benzoic acid has a molecular weight of 313.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-5-(phenylcarbamoylamino)benzoic acid is sourced from PubChem (CID 3020564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).