N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide

C25H25N3O3 — CID 56504081

IUPACN-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C25H25N3O3/c1-31-21-13-11-18(12-14-21)24(29)27-23-10-6-5-9-22(23)25(30)28-16-15-20(17-28)26-19-7-3-2-4-8-19/h2-14,20,26H,15-17H2,1H3,(H,27,29)
InChIKeyBXUCOILASDMAQE-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide

N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide (PubChem CID 56504081) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
PubChem CID56504081
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(Nc3ccccc3)C2)cc1
InChIInChI=1S/C25H25N3O3/c1-31-21-13-11-18(12-14-21)24(29)27-23-10-6-5-9-22(23)25(30)28-16-15-20(17-28)26-19-7-3-2-4-8-19/h2-14,20,26H,15-17H2,1H3,(H,27,29)
InChIKeyBXUCOILASDMAQE-UHFFFAOYSA-N
XLogP4.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-anilinopyrrolidine-1-carbonyl)-5-fluorophenyl]-4-methoxybenzamide
CID 86887352
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-4-methoxybenzamide
CID 120659632
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 55859581
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[(4-methoxybenzoyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 78809748
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide (CID 56504081) is N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(Nc3ccccc3)C2)cc1.
What is the InChIKey of N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide?
The InChIKey is BXUCOILASDMAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-31-21-13-11-18(12-14-21)24(29)27-23-10-6-5-9-22(23)25(30)28-16-15-20(17-28)26-19-7-3-2-4-8-19/h2-14,20,26H,15-17H2,1H3,(H,27,29).
What are the key properties of N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide?
N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide has a molecular weight of 415.49 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 56504081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).