N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide

C11H13BrN2O — CID 151325268

IUPACN-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide
SMILESNCc1c(Br)cccc1NC(=O)C1CC1
InChIInChI=1S/C11H13BrN2O/c12-9-2-1-3-10(8(9)6-13)14-11(15)7-4-5-7/h1-3,7H,4-6,13H2,(H,14,15)
InChIKeyOHHKDFNZQDFLPU-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.26
Rot. Bonds3

About N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide

N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide (PubChem CID 151325268) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide
PubChem CID151325268
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide
SMILESNCc1c(Br)cccc1NC(=O)C1CC1
InChIInChI=1S/C11H13BrN2O/c12-9-2-1-3-10(8(9)6-13)14-11(15)7-4-5-7/h1-3,7H,4-6,13H2,(H,14,15)
InChIKeyOHHKDFNZQDFLPU-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride
CID 140529024
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119314744
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939
4-N-(2-bromophenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149790
3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
CID 104832805
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide (CID 151325268) is N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide is NCc1c(Br)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide?
The InChIKey is OHHKDFNZQDFLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c12-9-2-1-3-10(8(9)6-13)14-11(15)7-4-5-7/h1-3,7H,4-6,13H2,(H,14,15).
What are the key properties of N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide?
N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-3-bromophenyl]cyclopropanecarboxamide is sourced from PubChem (CID 151325268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).