N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide

C23H25FN2O3 — CID 89159690

IUPACN-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide
SMILESC=C(C)CNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)c(OC)c1
InChIInChI=1S/C23H25FN2O3/c1-13(2)12-25-22(27)15-5-8-18(21(11-15)29-4)19-9-16(10-20(24)14(19)3)23(28)26-17-6-7-17/h5,8-11,17H,1,6-7,12H2,2-4H3,(H,25,27)(H,26,28)
InChIKeyMQFYVRYPCIBSFV-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.01
Rot. Bonds7

About N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide

N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide (PubChem CID 89159690) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide
PubChem CID89159690
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC NameN-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide
SMILESC=C(C)CNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)c(OC)c1
InChIInChI=1S/C23H25FN2O3/c1-13(2)12-25-22(27)15-5-8-18(21(11-15)29-4)19-9-16(10-20(24)14(19)3)23(28)26-17-6-7-17/h5,8-11,17H,1,6-7,12H2,2-4H3,(H,25,27)(H,26,28)
InChIKeyMQFYVRYPCIBSFV-UHFFFAOYSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[2-[4-(ethylamino)-4-oxobutoxy]-4-(2-methylprop-2-enylcarbamoyl)phenyl]-5-fluoro-4-methylbenzamide
CID 89159746
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-methoxyphenyl]-5-fluoro-4-methylbenzamide;molecular hydrogen
CID 145282453
N-cyclopropyl-3-[4-[[3-[2-[[3-[4-(2,2-dimethylpropylcarbamoyl)-2-methoxyphenyl]-5-fluoro-4-methylbenzoyl]amino]cyclopropyl]-2-methylpropyl]carbamoyl]-2-methoxyphenyl]-5-fluoro-4-methylbenzamide
CID 135294019
N-cyclopropyl-3-[2-[3-(dimethylamino)propoxy]-4-(2,2-dimethylpropylcarbamoyl)phenyl]-5-fluoro-4-methylbenzamide
CID 11431653
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(2-morpholin-4-ylethoxy)phenyl]-5-fluoro-4-methylbenzamide
CID 11352757
4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 69229769
N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-N-(2,2-dimethylpropyl)-3-N-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]benzene-1,3-dicarboxamide
CID 143308785
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(3,4-difluorophenyl)-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 12002103
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
CID 135283535
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide (CID 89159690) is N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide is C=C(C)CNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)cc(F)c2C)c(OC)c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide?
The InChIKey is MQFYVRYPCIBSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-13(2)12-25-22(27)15-5-8-18(21(11-15)29-4)19-9-16(10-20(24)14(19)3)23(28)26-17-6-7-17/h5,8-11,17H,1,6-7,12H2,2-4H3,(H,25,27)(H,26,28).
What are the key properties of N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide has a molecular weight of 396.46 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[2-methoxy-4-(2-methylprop-2-enylcarbamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 89159690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).