N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide

C18H19FN2O2 — CID 71970684

IUPACN-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-11-10-13(23-2)8-9-14(11)18(22)21-17-15(19)4-3-5-16(17)20-12-6-7-12/h3-5,8-10,12,20H,6-7H2,1-2H3,(H,21,22)
InChIKeyFJXQNNMYSHCYGR-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide

N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide (PubChem CID 71970684) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide
PubChem CID71970684
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-11-10-13(23-2)8-9-14(11)18(22)21-17-15(19)4-3-5-16(17)20-12-6-7-12/h3-5,8-10,12,20H,6-7H2,1-2H3,(H,21,22)
InChIKeyFJXQNNMYSHCYGR-UHFFFAOYSA-N
XLogP3.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)-4-hydroxy-2-methylbenzamide
CID 103865750
N-(2-bromo-3-methylphenyl)-2-fluoro-4-methoxybenzamide
CID 104870934
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol
CID 106594816
5-cyclopentyloxy-N-(2,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
CID 22145684
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924950
2-fluoro-6-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 104917345
N-(4-methoxy-2-methylphenyl)-1-oxothian-4-amine
CID 62871144
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methoxybenzamide
CID 82799632
N-(2-fluoro-5-methoxyphenyl)-2-iodo-3-methylbenzamide
CID 103747463
5-cyano-N-[2-(cyclopropylamino)-6-fluorophenyl]pyridine-2-carboxamide
CID 71919813
ethyl N-[3-[(2-fluoro-4-methoxybenzoyl)amino]-2-methylphenyl]carbamate
CID 87043158

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide (CID 71970684) is N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c(C)c1.
What is the InChIKey of N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide?
The InChIKey is FJXQNNMYSHCYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11-10-13(23-2)8-9-14(11)18(22)21-17-15(19)4-3-5-16(17)20-12-6-7-12/h3-5,8-10,12,20H,6-7H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide?
N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-6-fluorophenyl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 71970684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).