2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide

C20H15ClN2O4 — CID 130176587

IUPAC2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C20H15ClN2O4/c21-19-10-9-16(23(25)26)12-18(19)20(24)22-15-7-4-8-17(11-15)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,24)
InChIKeyJNYPENHEIIQONW-UHFFFAOYSA-N
MW382.80 g/mol
LogP5.08
Rot. Bonds6

About 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide

2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide (PubChem CID 130176587) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide
PubChem CID130176587
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC Name2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C20H15ClN2O4/c21-19-10-9-16(23(25)26)12-18(19)20(24)22-15-7-4-8-17(11-15)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,24)
InChIKeyJNYPENHEIIQONW-UHFFFAOYSA-N
XLogP5.08
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.80
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
3-[(2-chloro-4-nitrophenoxy)methyl]-N-phenylbenzamide
CID 52688047
2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
2-[[3-chloro-4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]carbamoyl]-4-nitrobenzoic acid
CID 51038446
tert-butyl N-[3-[2-[(2-chloro-5-nitrobenzoyl)amino]ethoxy]phenyl]carbamate
CID 139950398
3-[(4-chlorophenoxy)methyl]-N-(3-nitrophenyl)benzamide
CID 1225516
2-nitro-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142104
N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
CID 17134273
2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1326900
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide?
The IUPAC name of 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide (CID 130176587) is 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide is O=C(Nc1cccc(OCc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide?
The InChIKey is JNYPENHEIIQONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c21-19-10-9-16(23(25)26)12-18(19)20(24)22-15-7-4-8-17(11-15)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,22,24).
What are the key properties of 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide?
2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide has a molecular weight of 382.80 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(3-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 130176587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).