5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide

C17H17ClN2O3 — CID 844836

IUPAC5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN2O3/c1-12(7-8-13-5-3-2-4-6-13)19-17(21)15-11-14(18)9-10-16(15)20(22)23/h2-6,9-12H,7-8H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeySLKLBZVQHBHSME-GFCCVEGCSA-N
MW332.79 g/mol
LogP4.00
Rot. Bonds6

About 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide

5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide (PubChem CID 844836) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide
PubChem CID844836
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H17ClN2O3/c1-12(7-8-13-5-3-2-4-6-13)19-17(21)15-11-14(18)9-10-16(15)20(22)23/h2-6,9-12H,7-8H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeySLKLBZVQHBHSME-GFCCVEGCSA-N
XLogP4.00
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-nitro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1122066
5-chloro-N-(4-methylsulfanylbutan-2-yl)-2-nitrobenzamide
CID 115636168
4-chloro-3-nitro-N-(4-phenylbutan-2-yl)benzamide
CID 3377571
[1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 4-chloro-2-nitrobenzoate
CID 16958940
2-[(5-chloro-2-nitrobenzoyl)amino]hexanoic acid
CID 43386973
N-but-3-en-2-yl-5-chloro-2-nitrobenzamide
CID 115692165
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-chloro-N-(3-chlorobutyl)-2-nitrobenzamide
CID 113272743
5-chloro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-nitrobenzamide
CID 106349358
N-butan-2-yl-4-chloro-2-nitrobenzamide
CID 4080070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide (CID 844836) is 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide is C[C@H](CCc1ccccc1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide?
The InChIKey is SLKLBZVQHBHSME-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-12(7-8-13-5-3-2-4-6-13)19-17(21)15-11-14(18)9-10-16(15)20(22)23/h2-6,9-12H,7-8H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide?
5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitro-N-[(2R)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 844836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).