N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide

C20H24ClN3O2 — CID 119652343

IUPACN-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-20(2,12-22)13-24(3)19(26)16-6-4-5-7-17(16)23-18(25)14-8-10-15(21)11-9-14/h4-11H,12-13,22H2,1-3H3,(H,23,25)
InChIKeyOGPFOJPLMMKVDF-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.65
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide (PubChem CID 119652343) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide
PubChem CID119652343
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O2/c1-20(2,12-22)13-24(3)19(26)16-6-4-5-7-17(16)23-18(25)14-8-10-15(21)11-9-14/h4-11H,12-13,22H2,1-3H3,(H,23,25)
InChIKeyOGPFOJPLMMKVDF-UHFFFAOYSA-N
XLogP3.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride
CID 119654505
N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
CID 119656314
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide
CID 119656291
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(propylsulfonylamino)benzamide;hydrochloride
CID 119652704
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
N-(3-amino-2,2-dimethylpropyl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119653819
N-benzyl-2-[(4-chlorobenzoyl)carbamothioylamino]-N-methylbenzamide
CID 4937543
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
1-(3-amino-2,2-dimethylpropyl)-3-(2-fluorophenyl)-1-methylurea
CID 79652509
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 55358384

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide (CID 119652343) is N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide is CN(CC(C)(C)CN)C(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide?
The InChIKey is OGPFOJPLMMKVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-20(2,12-22)13-24(3)19(26)16-6-4-5-7-17(16)23-18(25)14-8-10-15(21)11-9-14/h4-11H,12-13,22H2,1-3H3,(H,23,25).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide has a molecular weight of 373.88 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-[(4-chlorobenzoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 119652343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).