N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide

C24H24FN3O2 — CID 86905072

IUPACN-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCNc2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C24H24FN3O2/c1-17-9-7-13-20(22(17)28-24(30)19-12-5-6-14-21(19)25)23(29)27-16-8-15-26-18-10-3-2-4-11-18/h2-7,9-14,26H,8,15-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyHXANPEQEQAPVCO-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.62
Rot. Bonds8

About N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide

N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide (PubChem CID 86905072) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide
PubChem CID86905072
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCNc2ccccc2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C24H24FN3O2/c1-17-9-7-13-20(22(17)28-24(30)19-12-5-6-14-21(19)25)23(29)27-16-8-15-26-18-10-3-2-4-11-18/h2-7,9-14,26H,8,15-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyHXANPEQEQAPVCO-UHFFFAOYSA-N
XLogP4.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119538084
2-fluoro-N-[3-(4-nitroanilino)propyl]benzamide
CID 5347228
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119605190
N-(3-anilinopropyl)-5-[(2-chlorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 56586586
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide
CID 97319528
N-[3-[(4-chlorophenyl)carbamoylamino]propyl]-2-fluorobenzamide
CID 47985502

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide?
The IUPAC name of N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide (CID 86905072) is N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide.
What is the SMILES notation for N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide?
The canonical SMILES for N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide is Cc1cccc(C(=O)NCCCNc2ccccc2)c1NC(=O)c1ccccc1F.
What is the InChIKey of N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide?
The InChIKey is HXANPEQEQAPVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-17-9-7-13-20(22(17)28-24(30)19-12-5-6-14-21(19)25)23(29)27-16-8-15-26-18-10-3-2-4-11-18/h2-7,9-14,26H,8,15-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide?
N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide has a molecular weight of 405.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide is sourced from PubChem (CID 86905072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).