3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide

C14H22ClN3O — CID 109016265

IUPAC3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCc1cc(Cl)ccc1NCCC(=O)NCCN(C)C
InChIInChI=1S/C14H22ClN3O/c1-11-10-12(15)4-5-13(11)16-7-6-14(19)17-8-9-18(2)3/h4-5,10,16H,6-9H2,1-3H3,(H,17,19)
InChIKeyNJNLNUUHMNTHGL-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.13
Rot. Bonds7

About 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 109016265) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID109016265
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCc1cc(Cl)ccc1NCCC(=O)NCCN(C)C
InChIInChI=1S/C14H22ClN3O/c1-11-10-12(15)4-5-13(11)16-7-6-14(19)17-8-9-18(2)3/h4-5,10,16H,6-9H2,1-3H3,(H,17,19)
InChIKeyNJNLNUUHMNTHGL-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 109020765
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027769
3-(2-chloro-4,6-dimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016268
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
3-(5-chloro-2-methylanilino)-N-pentylpropanamide
CID 109032149
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N-(4-chlorophenyl)-4-[2-(dimethylamino)ethylamino]-3-methylbenzamide
CID 175893681
5-(4-chloro-2-methylanilino)pentanoic acid
CID 28972078
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 109016265) is 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide is Cc1cc(Cl)ccc1NCCC(=O)NCCN(C)C.
What is the InChIKey of 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is NJNLNUUHMNTHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-11-10-12(15)4-5-13(11)16-7-6-14(19)17-8-9-18(2)3/h4-5,10,16H,6-9H2,1-3H3,(H,17,19).
What are the key properties of 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 283.80 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 109016265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).