N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide

C18H22ClN3O — CID 175893681

IUPACN-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1NCCN(C)C
InChIInChI=1S/C18H22ClN3O/c1-13-12-14(4-9-17(13)20-10-11-22(2)3)18(23)21-16-7-5-15(19)6-8-16/h4-9,12,20H,10-11H2,1-3H3,(H,21,23)
InChIKeyOCUNSQPGKKIQNX-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.87
Rot. Bonds6

About N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide

N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide (PubChem CID 175893681) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide
PubChem CID175893681
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1NCCN(C)C
InChIInChI=1S/C18H22ClN3O/c1-13-12-14(4-9-17(13)20-10-11-22(2)3)18(23)21-16-7-5-15(19)6-8-16/h4-9,12,20H,10-11H2,1-3H3,(H,21,23)
InChIKeyOCUNSQPGKKIQNX-UHFFFAOYSA-N
XLogP3.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-(3,5-dichlorophenyl)-4-(ethylamino)-3-methylbenzamide
CID 63501283
N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207365
N-(5-chloro-2-pyridinyl)-3-methyl-4-(propylamino)benzamide
CID 63210683
N-(4-bromophenyl)-4-[2-(dimethylamino)ethylamino]-3-nitrobenzamide
CID 59529894
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016265
4-chloro-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]benzamide
CID 113039930
N-(4-chloro-2-methylphenyl)-4-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109207368
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912
4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 26507194
3-chloro-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-methylbenzamide
CID 86898203

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide (CID 175893681) is N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1NCCN(C)C.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide?
The InChIKey is OCUNSQPGKKIQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-13-12-14(4-9-17(13)20-10-11-22(2)3)18(23)21-16-7-5-15(19)6-8-16/h4-9,12,20H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide?
N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide has a molecular weight of 331.85 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide is sourced from PubChem (CID 175893681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).