2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid

C13H14BrClN2O3 — CID 81280370

IUPAC2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H14BrClN2O3/c14-10-4-3-9(15)5-11(10)16-13(20)17(7-12(18)19)6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,16,20)(H,18,19)
InChIKeyGHDQWCFYXKRNAD-UHFFFAOYSA-N
MW361.62 g/mol
LogP3.43
Rot. Bonds5

About 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid

2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 81280370) has the molecular formula C13H14BrClN2O3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID81280370
Molecular FormulaC13H14BrClN2O3
Molecular Weight361.62 g/mol
Exact Mass359.99
IUPAC Name2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H14BrClN2O3/c14-10-4-3-9(15)5-11(10)16-13(20)17(7-12(18)19)6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,16,20)(H,18,19)
InChIKeyGHDQWCFYXKRNAD-UHFFFAOYSA-N
XLogP3.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
2-[(4-bromo-2,3-dichlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 107792005
2-[(2-bromo-5-chlorophenyl)carbamoyl-propan-2-ylamino]acetic acid
CID 81279694
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586717
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 43656045
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 83074600
2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61380602
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-(cyclopropylmethyl)amino]acetic acid
CID 43656682
2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid
CID 63645802
2-[(2-cyano-3-fluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43656161
2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655962

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid (CID 81280370) is 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is GHDQWCFYXKRNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O3/c14-10-4-3-9(15)5-11(10)16-13(20)17(7-12(18)19)6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid?
2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 361.62 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 81280370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).