3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide

C23H25ClN2O3 — CID 138543840

IUPAC3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)NC3CCCOC3)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H25ClN2O3/c24-18-5-1-4-16(14-18)21(27)25-19-9-7-17(8-10-19)23(11-3-12-23)22(28)26-20-6-2-13-29-15-20/h1,4-5,7-10,14,20H,2-3,6,11-13,15H2,(H,25,27)(H,26,28)
InChIKeyCDBOPMFUGNOISE-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.31
Rot. Bonds5

About 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide

3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide (PubChem CID 138543840) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide
PubChem CID138543840
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)NC3CCCOC3)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C23H25ClN2O3/c24-18-5-1-4-16(14-18)21(27)25-19-9-7-17(8-10-19)23(11-3-12-23)22(28)26-20-6-2-13-29-15-20/h1,4-5,7-10,14,20H,2-3,6,11-13,15H2,(H,25,27)(H,26,28)
InChIKeyCDBOPMFUGNOISE-UHFFFAOYSA-N
XLogP4.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[1-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclobutyl]phenyl]benzamide
CID 138543845
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-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
1-(4-acetamidophenyl)-N-cyclopentylcyclobutane-1-carboxamide
CID 53110546
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981202
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
3-[[1-(3-chlorophenyl)cyclohexanecarbonyl]amino]-N-cyclopropylbenzamide
CID 134047957
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
CID 138543815
3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide
CID 138543839
1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
CID 53110342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide (CID 138543840) is 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide is O=C(Nc1ccc(C2(C(=O)NC3CCCOC3)CCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide?
The InChIKey is CDBOPMFUGNOISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c24-18-5-1-4-16(14-18)21(27)25-19-9-7-17(8-10-19)23(11-3-12-23)22(28)26-20-6-2-13-29-15-20/h1,4-5,7-10,14,20H,2-3,6,11-13,15H2,(H,25,27)(H,26,28).
What are the key properties of 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide?
3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide has a molecular weight of 412.92 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide is sourced from PubChem (CID 138543840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).