N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide

C19H20FN3O3 — CID 86992494

IUPACN-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1F
InChIInChI=1S/C19H20FN3O3/c1-26-17-9-8-13(12-14(17)20)18(24)21-15-6-2-3-7-16(15)22-19(25)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyXJBFMUOMJXWYSC-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.71
Rot. Bonds4

About N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide

N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide (PubChem CID 86992494) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide
PubChem CID86992494
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1F
InChIInChI=1S/C19H20FN3O3/c1-26-17-9-8-13(12-14(17)20)18(24)21-15-6-2-3-7-16(15)22-19(25)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyXJBFMUOMJXWYSC-UHFFFAOYSA-N
XLogP3.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide
CID 31915342
N-(2-carbamothioylphenyl)-3-fluoro-4-methoxybenzamide
CID 62919051
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
2,3-dimethyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1H-indole-5-carboxamide
CID 55736357
methyl 2-[(3-fluoro-4-methoxybenzoyl)amino]-4,5-dimethoxybenzoate
CID 27845329
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
N-(1,3-dimethylpyrazol-4-yl)-3-fluoro-4-methoxybenzamide
CID 134714010
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide (CID 86992494) is N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide is COc1ccc(C(=O)Nc2ccccc2NC(=O)N2CCCC2)cc1F.
What is the InChIKey of N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is XJBFMUOMJXWYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-26-17-9-8-13(12-14(17)20)18(24)21-15-6-2-3-7-16(15)22-19(25)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide?
N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86992494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).