N-(3-chlorophenyl)-4-(nitromethyl)benzamide

C14H11ClN2O3 — CID 57301971

IUPACN-(3-chlorophenyl)-4-(nitromethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(C[N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN2O3/c15-12-2-1-3-13(8-12)16-14(18)11-6-4-10(5-7-11)9-17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyFPWZTXQGCYWEIA-UHFFFAOYSA-N
MW290.71 g/mol
LogP3.37
Rot. Bonds4

About N-(3-chlorophenyl)-4-(nitromethyl)benzamide

N-(3-chlorophenyl)-4-(nitromethyl)benzamide (PubChem CID 57301971) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(nitromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(nitromethyl)benzamide
PubChem CID57301971
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-(3-chlorophenyl)-4-(nitromethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(C[N+](=O)[O-])cc1
InChIInChI=1S/C14H11ClN2O3/c15-12-2-1-3-13(8-12)16-14(18)11-6-4-10(5-7-11)9-17(19)20/h1-8H,9H2,(H,16,18)
InChIKeyFPWZTXQGCYWEIA-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018
N-(3-chlorophenyl)-4-(diethylaminomethyl)benzamide
CID 46435319
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
N-(3-chlorophenyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682889
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(nitromethyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-4-(nitromethyl)benzamide (CID 57301971) is N-(3-chlorophenyl)-4-(nitromethyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(nitromethyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(nitromethyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(C[N+](=O)[O-])cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(nitromethyl)benzamide?
The InChIKey is FPWZTXQGCYWEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c15-12-2-1-3-13(8-12)16-14(18)11-6-4-10(5-7-11)9-17(19)20/h1-8H,9H2,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-4-(nitromethyl)benzamide?
N-(3-chlorophenyl)-4-(nitromethyl)benzamide has a molecular weight of 290.71 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(nitromethyl)benzamide is sourced from PubChem (CID 57301971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).