1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide

C11H13FN2O — CID 65465257

IUPAC1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CC2)cc1F
InChIInChI=1S/C11H13FN2O/c1-7-2-3-8(6-9(7)12)14-10(15)11(13)4-5-11/h2-3,6H,4-5,13H2,1H3,(H,14,15)
InChIKeyXEWXZUJFBYJTOC-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.56
Rot. Bonds2

About 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide

1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 65465257) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID65465257
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CC2)cc1F
InChIInChI=1S/C11H13FN2O/c1-7-2-3-8(6-9(7)12)14-10(15)11(13)4-5-11/h2-3,6H,4-5,13H2,1H3,(H,14,15)
InChIKeyXEWXZUJFBYJTOC-UHFFFAOYSA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(3-fluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 64548793
1-amino-N-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119708317
1-[(3-fluoro-4-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096062
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
5-[(1-aminocyclopropanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119808581
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(3-fluoro-4-methylphenyl)cyclohexane-1-carboxamide
CID 88600403
2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
CID 42910477
1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
CID 172576185
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
CID 81179055

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide (CID 65465257) is 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(N)CC2)cc1F.
What is the InChIKey of 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is XEWXZUJFBYJTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7-2-3-8(6-9(7)12)14-10(15)11(13)4-5-11/h2-3,6H,4-5,13H2,1H3,(H,14,15).
What are the key properties of 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide?
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 208.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65465257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).