4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide

C17H18N2O — CID 110464061

IUPAC4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
SMILESCc1cc(C(=O)NC2(c3ccccc3)CC2)ccc1N
InChIInChI=1S/C17H18N2O/c1-12-11-13(7-8-15(12)18)16(20)19-17(9-10-17)14-5-3-2-4-6-14/h2-8,11H,9-10,18H2,1H3,(H,19,20)
InChIKeyWMAIGBIAAJJINO-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.00
Rot. Bonds3

About 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide

4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide (PubChem CID 110464061) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
PubChem CID110464061
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
SMILESCc1cc(C(=O)NC2(c3ccccc3)CC2)ccc1N
InChIInChI=1S/C17H18N2O/c1-12-11-13(7-8-15(12)18)16(20)19-17(9-10-17)14-5-3-2-4-6-14/h2-8,11H,9-10,18H2,1H3,(H,19,20)
InChIKeyWMAIGBIAAJJINO-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
1-(2,6-dimethylphenyl)-3-(1-phenylcyclopropyl)urea
CID 110469284
2-amino-N-[1-(4-fluorophenyl)cyclopropyl]benzamide
CID 110465658
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
N-[2-methyl-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51273057
(4-amino-3-methylphenyl)-(4-phenylphenyl)methanone
CID 91678510
4-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977721
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide?
The IUPAC name of 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide (CID 110464061) is 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide?
The canonical SMILES for 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide is Cc1cc(C(=O)NC2(c3ccccc3)CC2)ccc1N.
What is the InChIKey of 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide?
The InChIKey is WMAIGBIAAJJINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-11-13(7-8-15(12)18)16(20)19-17(9-10-17)14-5-3-2-4-6-14/h2-8,11H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide?
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide is sourced from PubChem (CID 110464061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).