N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide

C22H18FN3O3 — CID 78775101

IUPACN-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O3/c1-14-5-4-6-16(13-14)20(27)24-19-8-3-2-7-18(19)22(29)26-25-21(28)15-9-11-17(23)12-10-15/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyTWSNLBNOTNTXKQ-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.46
Rot. Bonds4

About N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide

N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide (PubChem CID 78775101) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide
PubChem CID78775101
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H18FN3O3/c1-14-5-4-6-16(13-14)20(27)24-19-8-3-2-7-18(19)22(29)26-25-21(28)15-9-11-17(23)12-10-15/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyTWSNLBNOTNTXKQ-UHFFFAOYSA-N
XLogP3.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549728
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
methyl 4-[[2-[(3-methylbenzoyl)amino]benzoyl]amino]benzoate
CID 112762906
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
3-methyl-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 23857052
2-[(4-fluorobenzoyl)amino]-N,N-dimethylbenzamide
CID 4942407
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide (CID 78775101) is N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is TWSNLBNOTNTXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c1-14-5-4-6-16(13-14)20(27)24-19-8-3-2-7-18(19)22(29)26-25-21(28)15-9-11-17(23)12-10-15/h2-13H,1H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide?
N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 391.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 78775101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).