3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide

C12H18ClN3O — CID 55104508

IUPAC3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C12H18ClN3O/c1-8(7-14)12(17)15-10-6-9(13)4-5-11(10)16(2)3/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeyRIBGTJWNWPBHEB-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide

3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide (PubChem CID 55104508) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
PubChem CID55104508
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1cc(Cl)ccc1N(C)C
InChIInChI=1S/C12H18ClN3O/c1-8(7-14)12(17)15-10-6-9(13)4-5-11(10)16(2)3/h4-6,8H,7,14H2,1-3H3,(H,15,17)
InChIKeyRIBGTJWNWPBHEB-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
CID 113307543
4-amino-N-[5-chloro-2-(dimethylamino)phenyl]butanamide
CID 43710281
2-[(3-amino-2-methylpropanoyl)amino]-5-chlorobenzoic acid
CID 55104752
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531
(2S)-2-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99835829
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
CID 112687413
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
CID 119858077
4-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 43710258

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide (CID 55104508) is 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide is CC(CN)C(=O)Nc1cc(Cl)ccc1N(C)C.
What is the InChIKey of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide?
The InChIKey is RIBGTJWNWPBHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(7-14)12(17)15-10-6-9(13)4-5-11(10)16(2)3/h4-6,8H,7,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide?
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide has a molecular weight of 255.75 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 55104508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).