N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide

C15H21ClN2O3 — CID 96530978

IUPACN'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H](O)C(C)(C)C
InChIInChI=1S/C15H21ClN2O3/c1-9-7-10(16)5-6-11(9)18-14(21)13(20)17-8-12(19)15(2,3)4/h5-7,12,19H,8H2,1-4H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyKXGCCASOKXTJJO-GFCCVEGCSA-N
MW312.80 g/mol
LogP2.11
Rot. Bonds3

About N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide

N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide (PubChem CID 96530978) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide
PubChem CID96530978
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H](O)C(C)(C)C
InChIInChI=1S/C15H21ClN2O3/c1-9-7-10(16)5-6-11(9)18-14(21)13(20)17-8-12(19)15(2,3)4/h5-7,12,19H,8H2,1-4H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyKXGCCASOKXTJJO-GFCCVEGCSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111629766
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
CID 111431598
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol
CID 126846999
N-(2-hydroxypropyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 47225790
N'-(4-chloro-2-methylphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxamide
CID 84584328
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
CID 111430906
N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide
CID 3593007

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide (CID 96530978) is N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H](O)C(C)(C)C.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide?
The InChIKey is KXGCCASOKXTJJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-9-7-10(16)5-6-11(9)18-14(21)13(20)17-8-12(19)15(2,3)4/h5-7,12,19H,8H2,1-4H3,(H,17,20)(H,18,21)/t12-/m1/s1.
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide?
N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide has a molecular weight of 312.80 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide is sourced from PubChem (CID 96530978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).