1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide

C11H12BrClN2O — CID 115453515

IUPAC1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C11H12BrClN2O/c12-8-5-7(1-2-9(8)13)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4,6,14H2,(H,15,16)
InChIKeyFISVPTMXICAFND-UHFFFAOYSA-N
MW303.59 g/mol
LogP2.78
Rot. Bonds3

About 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 115453515) has the molecular formula C11H12BrClN2O and a molecular weight of 303.59 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID115453515
Molecular FormulaC11H12BrClN2O
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC Name1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C11H12BrClN2O/c12-8-5-7(1-2-9(8)13)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4,6,14H2,(H,15,16)
InChIKeyFISVPTMXICAFND-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-bromobenzoic acid
CID 115448782
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
CID 119322335
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670345
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926896
1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 115437474
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
1-(aminomethyl)-N-[2-chloro-5-(methanesulfonamido)phenyl]cyclopropane-1-carboxamide
CID 115452464

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide (CID 115453515) is 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide is NCC1(C(=O)Nc2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is FISVPTMXICAFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O/c12-8-5-7(1-2-9(8)13)15-10(16)11(6-14)3-4-11/h1-2,5H,3-4,6,14H2,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 303.59 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115453515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).