N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide

C16H22ClNO2 — CID 171677203

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO2/c1-10(2)9-14(19)16(20)18-15(11-3-4-11)12-5-7-13(17)8-6-12/h5-8,10-11,14-15,19H,3-4,9H2,1-2H3,(H,18,20)
InChIKeySBWUZDVOXIXLET-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.31
Rot. Bonds6

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide

N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide (PubChem CID 171677203) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
PubChem CID171677203
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H22ClNO2/c1-10(2)9-14(19)16(20)18-15(11-3-4-11)12-5-7-13(17)8-6-12/h5-8,10-11,14-15,19H,3-4,9H2,1-2H3,(H,18,20)
InChIKeySBWUZDVOXIXLET-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
CID 119318612
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119775158
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453
1-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 41200264
N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 78806157
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide (CID 171677203) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide is CC(C)CC(O)C(=O)NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide?
The InChIKey is SBWUZDVOXIXLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-10(2)9-14(19)16(20)18-15(11-3-4-11)12-5-7-13(17)8-6-12/h5-8,10-11,14-15,19H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide has a molecular weight of 295.81 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 171677203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).