1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C12H12BrF3N2O — CID 115453437

IUPAC1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H12BrF3N2O/c13-8-3-7(12(14,15)16)4-9(5-8)18-10(19)11(6-17)1-2-11/h3-5H,1-2,6,17H2,(H,18,19)
InChIKeyXSRDVXUKDAAXRC-UHFFFAOYSA-N
MW337.14 g/mol
LogP3.15
Rot. Bonds3

About 1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 115453437) has the molecular formula C12H12BrF3N2O and a molecular weight of 337.14 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID115453437
Molecular FormulaC12H12BrF3N2O
Molecular Weight337.14 g/mol
Exact Mass336.01
IUPAC Name1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H12BrF3N2O/c13-8-3-7(12(14,15)16)4-9(5-8)18-10(19)11(6-17)1-2-11/h3-5H,1-2,6,17H2,(H,18,19)
InChIKeyXSRDVXUKDAAXRC-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-5-bromobenzoic acid
CID 115448769
N-[3-bromo-5-(trifluoromethyl)phenyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80597937
4-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]butanamide
CID 65491997
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
CID 115453477
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 65490995
3-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]-3-sulfanylidenepropanamide
CID 65491424
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103708561
2-amino-N-[3-bromo-5-(trifluoromethyl)phenyl]propanamide
CID 65490818
4-(aminomethyl)-N-(3-bromo-5-methoxyphenyl)oxane-4-carboxamide
CID 82868058
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80587920
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide
CID 103430139
1-(aminomethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119697626

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 115453437) is 1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is NCC1(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XSRDVXUKDAAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O/c13-8-3-7(12(14,15)16)4-9(5-8)18-10(19)11(6-17)1-2-11/h3-5H,1-2,6,17H2,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[3-bromo-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 337.14 g/mol, XLogP of 3.15, 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-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115453437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).