2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide

C14H20ClNO2 — CID 110437686

IUPAC2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
SMILESCCC(CO)NC(=O)C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-12(9-17)16-13(18)14(2,3)10-6-5-7-11(15)8-10/h5-8,12,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyCZTXDYKETQUELJ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.50
Rot. Bonds5

About 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide

2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide (PubChem CID 110437686) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
PubChem CID110437686
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
SMILESCCC(CO)NC(=O)C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-12(9-17)16-13(18)14(2,3)10-6-5-7-11(15)8-10/h5-8,12,17H,4,9H2,1-3H3,(H,16,18)
InChIKeyCZTXDYKETQUELJ-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
3-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 786711
N-(2-amino-1-cyclopropylethyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 119613199
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 110437648
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 110438189
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
2-(3-chlorophenyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 110437667
2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
CID 126828995

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide (CID 110437686) is 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide is CCC(CO)NC(=O)C(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide?
The InChIKey is CZTXDYKETQUELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-12(9-17)16-13(18)14(2,3)10-6-5-7-11(15)8-10/h5-8,12,17H,4,9H2,1-3H3,(H,16,18).
What are the key properties of 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide?
2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide has a molecular weight of 269.77 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 110437686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).