2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid

C14H15BrClNO3 — CID 81290637

IUPAC2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H15BrClNO3/c15-11-5-4-8(6-12(11)16)13(18)17-7-9-2-1-3-10(9)14(19)20/h4-6,9-10H,1-3,7H2,(H,17,18)(H,19,20)
InChIKeyZTSAOEWOAMXWAN-UHFFFAOYSA-N
MW360.64 g/mol
LogP3.33
Rot. Bonds4

About 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81290637) has the molecular formula C14H15BrClNO3 and a molecular weight of 360.64 g/mol. Its IUPAC name is 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81290637
Molecular FormulaC14H15BrClNO3
Molecular Weight360.64 g/mol
Exact Mass358.99
IUPAC Name2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(NCC1CCCC1C(=O)O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H15BrClNO3/c15-11-5-4-8(6-12(11)16)13(18)17-7-9-2-1-3-10(9)14(19)20/h4-6,9-10H,1-3,7H2,(H,17,18)(H,19,20)
InChIKeyZTSAOEWOAMXWAN-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

4-bromo-N-[[2-(bromomethyl)cyclopentyl]methyl]-3-chlorobenzamide
CID 113276202
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
2-[(pyridazine-4-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113439196
4-bromo-3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 81296219
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
2-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107949287
2-[(3-bromo-4-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114025733

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 81290637) is 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(NCC1CCCC1C(=O)O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZTSAOEWOAMXWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO3/c15-11-5-4-8(6-12(11)16)13(18)17-7-9-2-1-3-10(9)14(19)20/h4-6,9-10H,1-3,7H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 360.64 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromo-3-chlorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81290637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).