2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid

C14H17BrN2O3 — CID 114900912

IUPAC2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid
SMILESNC(=O)c1ccc(Br)cc1N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H17BrN2O3/c15-9-5-6-11(14(16)20)12(7-9)17(8-13(18)19)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,16,20)(H,18,19)
InChIKeyKXTIWOMXOAHJNW-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.38
Rot. Bonds5

About 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid

2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid (PubChem CID 114900912) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid
PubChem CID114900912
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid
SMILESNC(=O)c1ccc(Br)cc1N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H17BrN2O3/c15-9-5-6-11(14(16)20)12(7-9)17(8-13(18)19)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,16,20)(H,18,19)
InChIKeyKXTIWOMXOAHJNW-UHFFFAOYSA-N
XLogP2.38
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-N-cyclopentyl-2-nitroanilino)acetic acid
CID 60839858
4-bromo-2-[cyclopropyl(piperidin-3-ylmethyl)amino]benzamide
CID 106643830
2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
CID 81274144
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711
4-bromo-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]benzenecarbothioamide
CID 114903042
4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641422
5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
CID 114893995
2-(5-bromo-2-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 114901058
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
CID 77044484
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide
CID 114894072
4-bromo-2-[ethyl(piperidin-4-ylmethyl)amino]benzamide
CID 114905646
2-(4-carbamothioyl-N-cyclopentyl-2,3-difluoroanilino)acetamide
CID 107934762

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid?
The IUPAC name of 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid (CID 114900912) is 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid?
The canonical SMILES for 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid is NC(=O)c1ccc(Br)cc1N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid?
The InChIKey is KXTIWOMXOAHJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-9-5-6-11(14(16)20)12(7-9)17(8-13(18)19)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,16,20)(H,18,19).
What are the key properties of 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid?
2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid has a molecular weight of 341.21 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid is sourced from PubChem (CID 114900912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).