N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide

C23H18Cl2F2N4O2 — CID 137463980

IUPACN-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide
SMILESNc1ncc(Cl)cc1NC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC(F)(F)C1
InChIInChI=1S/C23H18Cl2F2N4O2/c24-15-3-1-2-13(8-15)20(32)30-17-6-4-14(5-7-17)22(11-23(26,27)12-22)21(33)31-18-9-16(25)10-29-19(18)28/h1-10H,11-12H2,(H2,28,29)(H,30,32)(H,31,33)
InChIKeyHZHRZNGOYMHWPX-UHFFFAOYSA-N
MW491.33 g/mol
LogP5.53
Rot. Bonds5

About N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide

N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide (PubChem CID 137463980) has the molecular formula C23H18Cl2F2N4O2 and a molecular weight of 491.33 g/mol. Its IUPAC name is N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide
PubChem CID137463980
Molecular FormulaC23H18Cl2F2N4O2
Molecular Weight491.33 g/mol
Exact Mass490.08
IUPAC NameN-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide
SMILESNc1ncc(Cl)cc1NC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC(F)(F)C1
InChIInChI=1S/C23H18Cl2F2N4O2/c24-15-3-1-2-13(8-15)20(32)30-17-6-4-14(5-7-17)22(11-23(26,27)12-22)21(33)31-18-9-16(25)10-29-19(18)28/h1-10H,11-12H2,(H2,28,29)(H,30,32)(H,31,33)
InChIKeyHZHRZNGOYMHWPX-UHFFFAOYSA-N
XLogP5.53
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.33
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-[1-[(2-ethoxycyclopropyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]benzamide
CID 138543839
3-chloro-N-[4-[1-[(4-fluorophenyl)carbamoyl]-3-hydroxy-3-methylcyclobutyl]phenyl]benzamide
CID 138554359
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
3-chloro-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821535
3-chloro-N-[4-[1-[[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamoyl]cyclobutyl]phenyl]benzamide
CID 155074435
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[4-[1-(phenylsulfanylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 170106617
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3-chloro-N-[4-[1-(oxan-3-ylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 138543840
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-[1-[4-[(3-chlorobenzoyl)amino]phenyl]cyclobutyl]-3,4-difluorobenzamide
CID 138543815

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide?
The IUPAC name of N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide (CID 137463980) is N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide is Nc1ncc(Cl)cc1NC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC(F)(F)C1.
What is the InChIKey of N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide?
The InChIKey is HZHRZNGOYMHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2F2N4O2/c24-15-3-1-2-13(8-15)20(32)30-17-6-4-14(5-7-17)22(11-23(26,27)12-22)21(33)31-18-9-16(25)10-29-19(18)28/h1-10H,11-12H2,(H2,28,29)(H,30,32)(H,31,33).
What are the key properties of N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide?
N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide has a molecular weight of 491.33 g/mol, XLogP of 5.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2-amino-5-chloro-3-pyridinyl)carbamoyl]-3,3-difluorocyclobutyl]phenyl]-3-chlorobenzamide is sourced from PubChem (CID 137463980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).