N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide

C24H19ClF2N2O2 — CID 138543815

IUPACN-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C24H19ClF2N2O2/c25-18-4-1-3-15(13-18)22(30)28-19-8-6-17(7-9-19)24(11-2-12-24)29-23(31)16-5-10-20(26)21(27)14-16/h1,3-10,13-14H,2,11-12H2,(H,28,30)(H,29,31)
InChIKeyUTWBBKZKELHZIB-UHFFFAOYSA-N
MW440.88 g/mol
LogP5.68
Rot. Bonds5

About N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide

N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide (PubChem CID 138543815) has the molecular formula C24H19ClF2N2O2 and a molecular weight of 440.88 g/mol. Its IUPAC name is N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
PubChem CID138543815
Molecular FormulaC24H19ClF2N2O2
Molecular Weight440.88 g/mol
Exact Mass440.11
IUPAC NameN-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C24H19ClF2N2O2/c25-18-4-1-3-15(13-18)22(30)28-19-8-6-17(7-9-19)24(11-2-12-24)29-23(31)16-5-10-20(26)21(27)14-16/h1,3-10,13-14H,2,11-12H2,(H,28,30)(H,29,31)
InChIKeyUTWBBKZKELHZIB-UHFFFAOYSA-N
XLogP5.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.88
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]pyridine-2-carboxamide
CID 138543813
tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
CID 138554710
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide
CID 155074435
3-chloro-N-[4-[1-(phenylsulfanylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 170106617
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide?
The IUPAC name of N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide (CID 138543815) is N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide is O=C(Nc1ccc(C2(NC(=O)c3ccc(F)c(F)c3)CCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide?
The InChIKey is UTWBBKZKELHZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N2O2/c25-18-4-1-3-15(13-18)22(30)28-19-8-6-17(7-9-19)24(11-2-12-24)29-23(31)16-5-10-20(26)21(27)14-16/h1,3-10,13-14H,2,11-12H2,(H,28,30)(H,29,31).
What are the key properties of N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide?
N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide has a molecular weight of 440.88 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide is sourced from PubChem (CID 138543815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).