2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide

C20H14Cl2N2O3 — CID 19164974

IUPAC2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C20H14Cl2N2O3/c21-15-9-10-18(19(22)12-15)20(25)23(16-6-2-1-3-7-16)13-14-5-4-8-17(11-14)24(26)27/h1-12H,13H2
InChIKeyWBUWCWXJTFUDSO-UHFFFAOYSA-N
MW401.25 g/mol
LogP5.75
Rot. Bonds5

About 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide

2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide (PubChem CID 19164974) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide
PubChem CID19164974
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC Name2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C20H14Cl2N2O3/c21-15-9-10-18(19(22)12-15)20(25)23(16-6-2-1-3-7-16)13-14-5-4-8-17(11-14)24(26)27/h1-12H,13H2
InChIKeyWBUWCWXJTFUDSO-UHFFFAOYSA-N
XLogP5.75
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.75
H-Bond Donors ≤ 50
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

N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
CID 19165535
N-benzyl-2,4-dichloro-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide
CID 46052531
2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
CID 46404947
2-chloro-N-methyl-4-nitro-N-phenylbenzamide
CID 799115
(Z)-N-benzyl-3-(3-nitrophenyl)-N-phenylprop-2-enamide
CID 92896876
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
(3-nitrophenyl)methyl 2-(2,4-dichlorophenyl)acetate
CID 4165580
2-[carboxymethyl-[(4-chloro-2-nitrophenyl)methyl]amino]acetic acid;2-[carboxymethyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 88625896
N-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]furan-2-carboxamide
CID 1117372
N-benzyl-2-chloro-N-(cyclobutylmethyl)-4-nitrobenzamide
CID 60584220
N,N-dibenzyl-5-chloro-2-nitrobenzamide
CID 1222313
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)acetamide
CID 1177159

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide (CID 19164974) is 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide is O=C(c1ccc(Cl)cc1Cl)N(Cc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide?
The InChIKey is WBUWCWXJTFUDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c21-15-9-10-18(19(22)12-15)20(25)23(16-6-2-1-3-7-16)13-14-5-4-8-17(11-14)24(26)27/h1-12H,13H2.
What are the key properties of 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide?
2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide has a molecular weight of 401.25 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 19164974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).