N-[(4-chlorophenyl)methyl]-4-nitrobenzamide

C14H11ClN2O3 — CID 796518

IUPACN-[(4-chlorophenyl)methyl]-4-nitrobenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN2O3/c15-12-5-1-10(2-6-12)9-16-14(18)11-3-7-13(8-4-11)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyDBGGDPXHDVDKQC-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.18
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-nitrobenzamide

N-[(4-chlorophenyl)methyl]-4-nitrobenzamide (PubChem CID 796518) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-nitrobenzamide
PubChem CID796518
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-[(4-chlorophenyl)methyl]-4-nitrobenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN2O3/c15-12-5-1-10(2-6-12)9-16-14(18)11-3-7-13(8-4-11)17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyDBGGDPXHDVDKQC-UHFFFAOYSA-N
XLogP3.18
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 53.18
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

2-Chloro-4'-nitrobenzanilide
CID 2787761
N-Methyl-4-nitrobenzamide
CID 347921
4-nitro-N-{2,2,2-trichloro-1-[(4-chlorophenyl)sulfanyl]ethyl}benzamide
CID 2830271
N-(5-Hydroxycarbamoyl-pentyl)-4-nitro-benzamide
CID 9943996
2-chloro-5-nitro-N-(1-phenylpropan-2-yl)benzamide
CID 3706142
N,N'-bis(p-nitrobenzoyl)ethylenediamine
CID 2134211
N-(cyclohexylmethyl)-4-nitrobenzamide
CID 2666713
4-nitro-N-(2-phenylethyl)benzamide
CID 230117
4-chloro-3-nitro-N-(2-phenylethyl)benzamide
CID 795980
Benzamide, N-[2-(4-nitrophenyl)ethyl]-
CID 913108
N-benzyl-3-nitrobenzamide
CID 347075
1-(4-Nitrobenzoyl)piperazine
CID 544791

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-nitrobenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-nitrobenzamide (CID 796518) is N-[(4-chlorophenyl)methyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-nitrobenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-nitrobenzamide is O=C(NCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-nitrobenzamide?
The InChIKey is DBGGDPXHDVDKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-12-5-1-10(2-6-12)9-16-14(18)11-3-7-13(8-4-11)17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-nitrobenzamide?
N-[(4-chlorophenyl)methyl]-4-nitrobenzamide has a molecular weight of 290.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 796518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).