3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C14H16BrNO3 — CID 103549862

IUPAC3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ccc(Br)cc2)C1
InChIInChI=1S/C14H16BrNO3/c15-12-5-1-9(2-6-12)8-16-13(17)10-3-4-11(7-10)14(18)19/h1-2,5-6,10-11H,3-4,7-8H2,(H,16,17)(H,18,19)
InChIKeySGZKMGJPIVNOMT-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.57
Rot. Bonds4

About 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103549862) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103549862
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ccc(Br)cc2)C1
InChIInChI=1S/C14H16BrNO3/c15-12-5-1-9(2-6-12)8-16-13(17)10-3-4-11(7-10)14(18)19/h1-2,5-6,10-11H,3-4,7-8H2,(H,16,17)(H,18,19)
InChIKeySGZKMGJPIVNOMT-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-[(4-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033001
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551256
4-[(3-bromophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783652
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103549862) is 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SGZKMGJPIVNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c15-12-5-1-9(2-6-12)8-16-13(17)10-3-4-11(7-10)14(18)19/h1-2,5-6,10-11H,3-4,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 326.19 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).