N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide

C18H17ClN2O3 — CID 111798362

IUPACN'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C18H17ClN2O3/c1-10-8-12(19)6-7-14(10)20-17(23)18(24)21-16-13-5-3-2-4-11(13)9-15(16)22/h2-8,15-16,22H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyPQORPBRERIQZLR-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.36
Rot. Bonds2

About N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide

N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide (PubChem CID 111798362) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide
PubChem CID111798362
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C18H17ClN2O3/c1-10-8-12(19)6-7-14(10)20-17(23)18(24)21-16-13-5-3-2-4-11(13)9-15(16)22/h2-8,15-16,22H,9H2,1H3,(H,20,23)(H,21,24)
InChIKeyPQORPBRERIQZLR-UHFFFAOYSA-N
XLogP2.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-3-fluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 46198843
N'-(3,5-dimethylphenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 111798540
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxycyclohexyl)oxamide
CID 111798227
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
CID 71861885
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
5-chloro-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 82874519
N-(2-aminoethyl)-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 107211873
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 65311609
2-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 106509864
1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907999
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 76869001

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide (CID 111798362) is N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NC1c2ccccc2CC1O.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide?
The InChIKey is PQORPBRERIQZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-10-8-12(19)6-7-14(10)20-17(23)18(24)21-16-13-5-3-2-4-11(13)9-15(16)22/h2-8,15-16,22H,9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide?
N'-(4-chloro-2-methylphenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide has a molecular weight of 344.80 g/mol, XLogP of 2.36, 2 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-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxamide is sourced from PubChem (CID 111798362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).