N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide

C17H18N2O — CID 115912203

IUPACN-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(N)c(NC(=O)C2CC2c2ccccc2)c1
InChIInChI=1S/C17H18N2O/c1-11-7-8-15(18)16(9-11)19-17(20)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10,18H2,1H3,(H,19,20)
InChIKeyKKVCSGATGIEYJT-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.32
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide

N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 115912203) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID115912203
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(N)c(NC(=O)C2CC2c2ccccc2)c1
InChIInChI=1S/C17H18N2O/c1-11-7-8-15(18)16(9-11)19-17(20)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10,18H2,1H3,(H,19,20)
InChIKeyKKVCSGATGIEYJT-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
N-(2-amino-4-methylphenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 157443710
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 97258874
N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43259106
trans-(1R,2R)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 742465
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
N-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]benzamide
CID 110606701
N-(1,5-dimethylpyrazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 19399771
N-(2-amino-5-methoxyphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119421487

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide (CID 115912203) is N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide is Cc1ccc(N)c(NC(=O)C2CC2c2ccccc2)c1.
What is the InChIKey of N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is KKVCSGATGIEYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-7-8-15(18)16(9-11)19-17(20)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 115912203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).