N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide

C14H21ClN2O2 — CID 104696419

IUPACN-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC(C)C(C)CO
InChIInChI=1S/C14H21ClN2O2/c1-9-4-5-12(15)6-13(9)17-14(19)7-16-11(3)10(2)8-18/h4-6,10-11,16,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyLAOQNOJUULKXAF-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.19
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide (PubChem CID 104696419) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
PubChem CID104696419
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNC(C)C(C)CO
InChIInChI=1S/C14H21ClN2O2/c1-9-4-5-12(15)6-13(9)17-14(19)7-16-11(3)10(2)8-18/h4-6,10-11,16,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyLAOQNOJUULKXAF-UHFFFAOYSA-N
XLogP2.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(5-chloro-2-methylphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306731
N-(5-chloro-2-methylphenyl)-2-(1-cyclohexylethylamino)acetamide
CID 62406464
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
N-(5-chloro-2-methylphenyl)-2-(4-propan-2-yloxyanilino)acetamide
CID 54822319
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174844
N-(5-chloro-2-methylphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61474079
N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43626479

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide (CID 104696419) is N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide is Cc1ccc(Cl)cc1NC(=O)CNC(C)C(C)CO.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide?
The InChIKey is LAOQNOJUULKXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-9-4-5-12(15)6-13(9)17-14(19)7-16-11(3)10(2)8-18/h4-6,10-11,16,18H,7-8H2,1-3H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide has a molecular weight of 284.79 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 104696419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).