2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid

C15H12BrClN2O3 — CID 23512395

IUPAC2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C15H12BrClN2O3/c16-10-3-1-2-4-12(10)18-15(22)19-13-6-5-9(7-11(13)17)8-14(20)21/h1-7H,8H2,(H,20,21)(H2,18,19,22)
InChIKeyAIWVWUURMDQTIJ-UHFFFAOYSA-N
MW383.63 g/mol
LogP4.37
Rot. Bonds4

About 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid

2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid (PubChem CID 23512395) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid
PubChem CID23512395
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC Name2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2ccccc2Br)c(Cl)c1
InChIInChI=1S/C15H12BrClN2O3/c16-10-3-1-2-4-12(10)18-15(22)19-13-6-5-9(7-11(13)17)8-14(20)21/h1-7H,8H2,(H,20,21)(H2,18,19,22)
InChIKeyAIWVWUURMDQTIJ-UHFFFAOYSA-N
XLogP4.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
1-[3-(aminomethyl)-4-chloro-2-hydroxyphenyl]-3-(2-bromophenyl)urea;hydrochloride
CID 45263183
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
CID 21184650
4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid
CID 61398747
tert-butyl 2-[4-[(2-bromophenyl)carbamoylamino]-3-methylphenyl]acetate
CID 23512004
2-[5-[(2-bromophenyl)carbamoylamino]-6-methoxy-2-pyridinyl]acetic acid
CID 69333397
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
N-(4-bromo-2-chlorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741026
5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
CID 62074134
(2-bromophenyl)carbamic acid
CID 15021878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid?
The IUPAC name of 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid (CID 23512395) is 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Nc2ccccc2Br)c(Cl)c1.
What is the InChIKey of 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid?
The InChIKey is AIWVWUURMDQTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c16-10-3-1-2-4-12(10)18-15(22)19-13-6-5-9(7-11(13)17)8-14(20)21/h1-7H,8H2,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid?
2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid has a molecular weight of 383.63 g/mol, XLogP of 4.37, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid is sourced from PubChem (CID 23512395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).