3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide

C12H17ClN2O — CID 172652013

IUPAC3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(2)15-12(16)6-3-9-7-10(14)4-5-11(9)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyWAMCDGRGYZRYCP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.38
Rot. Bonds4

About 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide

3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide (PubChem CID 172652013) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide
PubChem CID172652013
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1cc(N)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-8(2)15-12(16)6-3-9-7-10(14)4-5-11(9)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16)
InChIKeyWAMCDGRGYZRYCP-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-amino-2-chlorophenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62626603
2-[(5-amino-2-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567646
2-[(4-amino-2-chlorophenyl)methylsulfinyl]-N-propan-2-ylacetamide
CID 114232500
3-[(2,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 115761702
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
3-(5-amino-1,3-dioxoisoindol-2-yl)-N-propan-2-ylpropanamide
CID 62623411
4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61139557
3-(4-amino-2-methylphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62626257
N-[2-(4-aminophenyl)ethyl]-N'-propan-2-ylpentanediamide;hydrochloride
CID 119548257
4-(3-aminophenyl)-4-oxo-N-propan-2-ylbutanamide
CID 94262244
4-[(5-amino-2-chlorophenyl)methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098354
3-(5-amino-2-methylphenyl)sulfinyl-N-propan-2-ylpropanamide
CID 81190771

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide (CID 172652013) is 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1cc(N)ccc1Cl.
What is the InChIKey of 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide?
The InChIKey is WAMCDGRGYZRYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(2)15-12(16)6-3-9-7-10(14)4-5-11(9)13/h4-5,7-8H,3,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide?
3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide has a molecular weight of 240.73 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 172652013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).