N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide

C14H12N2O3 — CID 867448

IUPACN-[(S)-(3-nitrophenyl)-phenylmethyl]formamide
SMILESO=CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O3/c17-10-15-14(11-5-2-1-3-6-11)12-7-4-8-13(9-12)16(18)19/h1-10,14H,(H,15,17)/t14-/m0/s1
InChIKeyYJBHQKZGDIWRLZ-AWEZNQCLSA-N
MW256.26 g/mol
LogP2.43
Rot. Bonds5

About N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide

N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide (PubChem CID 867448) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide.

Molecular Properties

Compound NameN-[(S)-(3-nitrophenyl)-phenylmethyl]formamide
PubChem CID867448
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-[(S)-(3-nitrophenyl)-phenylmethyl]formamide
SMILESO=CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N2O3/c17-10-15-14(11-5-2-1-3-6-11)12-7-4-8-13(9-12)16(18)19/h1-10,14H,(H,15,17)/t14-/m0/s1
InChIKeyYJBHQKZGDIWRLZ-AWEZNQCLSA-N
XLogP2.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxyphenyl)-phenylmethyl]formamide
CID 86676910
(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
1-nitro-3-(2-nitro-1-phenylethyl)benzene
CID 3919494
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
[3-[[[(3-nitrophenyl)-phenylmethyl]amino]methyl]oxetan-3-yl]methanol
CID 110011234
3-(3-nitrophenyl)pentane-2,4-diol
CID 10376360
3-bromo-2-(3-nitrophenyl)propanal
CID 174429103
1-(1-fluoroethyl)-3-nitrobenzene
CID 139245530
formic acid;1-nitro-3-phenylbenzene
CID 158057338
molecular hydrogen;1-nitro-3-propan-2-ylbenzene
CID 167689608
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
(1R)-2,2,2-trichloro-1-(3-nitrophenyl)ethanol
CID 6922856

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide?
The IUPAC name of N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide (CID 867448) is N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide.
What is the SMILES notation for N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide?
The canonical SMILES for N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide is O=CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide?
The InChIKey is YJBHQKZGDIWRLZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-10-15-14(11-5-2-1-3-6-11)12-7-4-8-13(9-12)16(18)19/h1-10,14H,(H,15,17)/t14-/m0/s1.
What are the key properties of N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide?
N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide has a molecular weight of 256.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-nitrophenyl)-phenylmethyl]formamide is sourced from PubChem (CID 867448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).