2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid

C14H16BrNO3 — CID 54867930

IUPAC2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C14H16BrNO3/c1-8(6-9-2-4-10(15)5-3-9)16-13(17)11-7-12(11)14(18)19/h2-5,8,11-12H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyIFSFLTYLRXEQNP-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid

2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54867930) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54867930
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(Cc1ccc(Br)cc1)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C14H16BrNO3/c1-8(6-9-2-4-10(15)5-3-9)16-13(17)11-7-12(11)14(18)19/h2-5,8,11-12H,6-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyIFSFLTYLRXEQNP-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975257
cis-(1S,2R)-2-[1-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091892
(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120925805
trans-(1R,2R)-2-[[(2R)-1-(6-methoxynaphthalen-2-yl)propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 167774325
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
2-[1-(3-bromo-4-fluorophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977411
(1S,6R)-6-(1-phenylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962407
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide
CID 75262929
N-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47288217
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid (CID 54867930) is 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid is CC(Cc1ccc(Br)cc1)NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IFSFLTYLRXEQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-8(6-9-2-4-10(15)5-3-9)16-13(17)11-7-12(11)14(18)19/h2-5,8,11-12H,6-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 326.19 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54867930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).