4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide

C13H20ClN3O — CID 66430780

IUPAC4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)Nc1ccccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-9(2)16-13(18)7-10(8-15)17-12-6-4-3-5-11(12)14/h3-6,9-10,17H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyNORNMLNAUTXABG-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.99
Rot. Bonds6

About 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide

4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide (PubChem CID 66430780) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide
PubChem CID66430780
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(CN)Nc1ccccc1Cl
InChIInChI=1S/C13H20ClN3O/c1-9(2)16-13(18)7-10(8-15)17-12-6-4-3-5-11(12)14/h3-6,9-10,17H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyNORNMLNAUTXABG-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-chlorophenyl)butane-1,2-diamine
CID 65377716
4-amino-3-(3-methylanilino)-N-propan-2-ylbutanamide
CID 66431191
3-(2-chloroanilino)-N-methylbutanamide
CID 115928184
4-amino-3-(3-bromo-4-fluoroanilino)-N-propan-2-ylbutanamide
CID 104776364
4-amino-N-tert-butyl-3-(2-chloro-5-fluoroanilino)butanamide
CID 107527895
2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide
CID 3092639
5-(2-chloroanilino)-3-methyl-5-oxopentanoic acid
CID 45126722
2-N-(2-chlorophenyl)-3-methylpentane-1,2-diamine
CID 65379401
N-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65377098
2-(1-aminopropan-2-ylsulfinyl)-N-(2-chlorophenyl)acetamide
CID 81186906
2-chloro-N-heptan-4-ylaniline
CID 29274819
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide (CID 66430780) is 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(CN)Nc1ccccc1Cl.
What is the InChIKey of 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide?
The InChIKey is NORNMLNAUTXABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(2)16-13(18)7-10(8-15)17-12-6-4-3-5-11(12)14/h3-6,9-10,17H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide?
4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide has a molecular weight of 269.78 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide is sourced from PubChem (CID 66430780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).