N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide

C22H22ClN3O — CID 142681608

IUPACN-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(Nc3ncccc3Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O/c1-22(2,3)16-8-12-18(13-9-16)26-21(27)15-6-10-17(11-7-15)25-20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,24,25)(H,26,27)
InChIKeyBIGLFZGWZOBUNQ-UHFFFAOYSA-N
MW379.89 g/mol
LogP6.03
Rot. Bonds4

About N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide

N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide (PubChem CID 142681608) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide
PubChem CID142681608
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(Nc3ncccc3Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O/c1-22(2,3)16-8-12-18(13-9-16)26-21(27)15-6-10-17(11-7-15)25-20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,24,25)(H,26,27)
InChIKeyBIGLFZGWZOBUNQ-UHFFFAOYSA-N
XLogP6.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
4-Aminobenzamidopyridine
CID 81976
2,4-Bisanilinopyrimidine, 10
CID 44139710
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
Bisanilinopyrimidine, 6p
CID 70702144
Bisanilinopyrimidine, 9l
CID 70702159
Bisanilinopyrimidine, 9m
CID 70702160
[3-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)phenyl]urea
CID 470748
13-[2-(4-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470756
13-[2-(3-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470757
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide (CID 142681608) is N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(Nc3ncccc3Cl)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide?
The InChIKey is BIGLFZGWZOBUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-22(2,3)16-8-12-18(13-9-16)26-21(27)15-6-10-17(11-7-15)25-20-19(23)5-4-14-24-20/h4-14H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide?
N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide has a molecular weight of 379.89 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[(3-chloro-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 142681608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).