2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid

C15H13BrN2O3 — CID 61191509

IUPAC2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrN2O3/c16-11-5-4-6-12(9-11)17-15(21)18(10-14(19)20)13-7-2-1-3-8-13/h1-9H,10H2,(H,17,21)(H,19,20)
InChIKeyAANLVXIKAQEOJZ-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.57
Rot. Bonds4

About 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid

2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid (PubChem CID 61191509) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid
PubChem CID61191509
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H13BrN2O3/c16-11-5-4-6-12(9-11)17-15(21)18(10-14(19)20)13-7-2-1-3-8-13/h1-9H,10H2,(H,17,21)(H,19,20)
InChIKeyAANLVXIKAQEOJZ-UHFFFAOYSA-N
XLogP3.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 54978714
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
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N'-(3-bromophenyl)-N-phenylpropanediamide
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2-N-(3-bromophenyl)-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
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2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 18951141
1-(aminosulfanylmethyl)-1,3-diphenylurea
CID 90925999
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
N-(3-bromophenyl)-2-(diethylamino)acetamide
CID 975030
1-ethyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
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4-amino-5-(3-bromoanilino)-5-oxopentanoic acid
CID 64895596

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid (CID 61191509) is 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid is O=C(O)CN(C(=O)Nc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid?
The InChIKey is AANLVXIKAQEOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-11-5-4-6-12(9-11)17-15(21)18(10-14(19)20)13-7-2-1-3-8-13/h1-9H,10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid?
2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid has a molecular weight of 349.18 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid is sourced from PubChem (CID 61191509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).