2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide

C14H20ClNO2 — CID 79030912

IUPAC2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)N[C@H](C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-9(2)13(14(18)16-10(3)8-17)11-4-6-12(15)7-5-11/h4-7,9-10,13,17H,8H2,1-3H3,(H,16,18)/t10-,13?/m1/s1
InChIKeyWRRKWRLCBNVLSM-VUUHIHSGSA-N
MW269.77 g/mol
LogP2.58
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide

2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide (PubChem CID 79030912) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
PubChem CID79030912
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
SMILESCC(C)C(C(=O)N[C@H](C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2/c1-9(2)13(14(18)16-10(3)8-17)11-4-6-12(15)7-5-11/h4-7,9-10,13,17H,8H2,1-3H3,(H,16,18)/t10-,13?/m1/s1
InChIKeyWRRKWRLCBNVLSM-VUUHIHSGSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 115770820
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 43238753
2-(4-chlorophenyl)-3-methyl-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]butanamide
CID 24740321
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-(1-hydroxypropan-2-yl)urea
CID 111507071
2-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbutanamide
CID 63294733
2-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 61261712
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
(2S)-4-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107834611
azane;(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid
CID 70402898
2-(4-chlorophenyl)-3-methylbutanethioic S-acid
CID 12774585

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide (CID 79030912) is 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide is CC(C)C(C(=O)N[C@H](C)CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide?
The InChIKey is WRRKWRLCBNVLSM-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)13(14(18)16-10(3)8-17)11-4-6-12(15)7-5-11/h4-7,9-10,13,17H,8H2,1-3H3,(H,16,18)/t10-,13?/m1/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide?
2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide has a molecular weight of 269.77 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 79030912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).