3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide

C22H20ClF3N2O2 — CID 155074435

IUPAC3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)N[C@@H]3C[C@H]3C(F)(F)F)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClF3N2O2/c23-15-4-1-3-13(11-15)19(29)27-16-7-5-14(6-8-16)21(9-2-10-21)20(30)28-18-12-17(18)22(24,25)26/h1,3-8,11,17-18H,2,9-10,12H2,(H,27,29)(H,28,30)/t17-,18-/m1/s1
InChIKeyFIMKYNQQSBFJPN-QZTJIDSGSA-N
MW436.86 g/mol
LogP5.08
Rot. Bonds5

About 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide

3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide (PubChem CID 155074435) has the molecular formula C22H20ClF3N2O2 and a molecular weight of 436.86 g/mol. Its IUPAC name is 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide
PubChem CID155074435
Molecular FormulaC22H20ClF3N2O2
Molecular Weight436.86 g/mol
Exact Mass436.12
IUPAC Name3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)N[C@@H]3C[C@H]3C(F)(F)F)CCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C22H20ClF3N2O2/c23-15-4-1-3-13(11-15)19(29)27-16-7-5-14(6-8-16)21(9-2-10-21)20(30)28-18-12-17(18)22(24,25)26/h1,3-8,11,17-18H,2,9-10,12H2,(H,27,29)(H,28,30)/t17-,18-/m1/s1
InChIKeyFIMKYNQQSBFJPN-QZTJIDSGSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.86
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 138543840
3-chloro-N-[4-[1-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclobutyl]phenyl]benzamide
CID 138543845
3-chloro-N-[4-[1-(phenylsulfanylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 170106617
3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide
CID 138543839
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
CID 138543815
3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]-3-hydroxy-3-methylcyclobutyl]phenyl]benzamide
CID 138554359
tert-butyl N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]carbamate
CID 138554710
N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide
CID 137463980
3-chloro-N-[4-[(1R,5S)-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]benzamide
CID 145006160
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-chlorobenzamide
CID 7920374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide (CID 155074435) is 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide is O=C(Nc1ccc(C2(C(=O)N[C@@H]3C[C@H]3C(F)(F)F)CCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide?
The InChIKey is FIMKYNQQSBFJPN-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H20ClF3N2O2/c23-15-4-1-3-13(11-15)19(29)27-16-7-5-14(6-8-16)21(9-2-10-21)20(30)28-18-12-17(18)22(24,25)26/h1,3-8,11,17-18H,2,9-10,12H2,(H,27,29)(H,28,30)/t17-,18-/m1/s1.
What are the key properties of 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide?
3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide has a molecular weight of 436.86 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide is sourced from PubChem (CID 155074435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).