3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide

C23H23ClF2N2O3 — CID 138543839

IUPAC3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide
SMILESCCOC1CC1NC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC(F)(F)C1
InChIInChI=1S/C23H23ClF2N2O3/c1-2-31-19-11-18(19)28-21(30)22(12-23(25,26)13-22)15-6-8-17(9-7-15)27-20(29)14-4-3-5-16(24)10-14/h3-10,18-19H,2,11-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyDUWCERBDMGKIIZ-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.55
Rot. Bonds7

About 3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide

3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide (PubChem CID 138543839) has the molecular formula C23H23ClF2N2O3 and a molecular weight of 448.90 g/mol. Its IUPAC name is 3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide
PubChem CID138543839
Molecular FormulaC23H23ClF2N2O3
Molecular Weight448.90 g/mol
Exact Mass448.14
IUPAC Name3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide
SMILESCCOC1CC1NC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC(F)(F)C1
InChIInChI=1S/C23H23ClF2N2O3/c1-2-31-19-11-18(19)28-21(30)22(12-23(25,26)13-22)15-6-8-17(9-7-15)27-20(29)14-4-3-5-16(24)10-14/h3-10,18-19H,2,11-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyDUWCERBDMGKIIZ-UHFFFAOYSA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide
CID 155074435
N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide
CID 137463980
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]-3-hydroxy-3-methylcyclobutyl]phenyl]benzamide
CID 138554359
3-chloro-N-[4-(3-methylbutylamino)phenyl]benzamide
CID 112985106
3-chloro-N-[4-[1-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclobutyl]phenyl]benzamide
CID 138543845
3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 138543840
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate
CID 19169303
3-chloro-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 4949868
3-chloro-N-[4-[(5,6-dimethyloxan-3-yl)methyl]phenyl]benzamide
CID 91585466
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide (CID 138543839) is 3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide is CCOC1CC1NC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC(F)(F)C1.
What is the InChIKey of 3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide?
The InChIKey is DUWCERBDMGKIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N2O3/c1-2-31-19-11-18(19)28-21(30)22(12-23(25,26)13-22)15-6-8-17(9-7-15)27-20(29)14-4-3-5-16(24)10-14/h3-10,18-19H,2,11-13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide?
3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide has a molecular weight of 448.90 g/mol, XLogP of 4.55, 7 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-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide is sourced from PubChem (CID 138543839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).