(2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile

C21H17N3O2 — CID 57413320

IUPAC(2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile
SMILESN#C[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O2/c22-15-19(18-13-7-8-14-20(18)24(25)26)23-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19,21,23H/t19-/m0/s1
InChIKeyLNFYTFVOQVYSKD-IBGZPJMESA-N
MW343.39 g/mol
LogP4.54
Rot. Bonds6

About (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile

(2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile (PubChem CID 57413320) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile
PubChem CID57413320
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name(2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile
SMILESN#C[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O2/c22-15-19(18-13-7-8-14-20(18)24(25)26)23-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19,21,23H/t19-/m0/s1
InChIKeyLNFYTFVOQVYSKD-IBGZPJMESA-N
XLogP4.54
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.54
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-[[cyano-(2-nitrophenyl)methyl]amino]acetic acid
CID 84816495
2,2-bis(2-nitrophenyl)acetonitrile
CID 2750302
1-nitro-2-[nitroso(phenyl)methyl]benzene
CID 57068821
tert-butyl N-[cyano-(2-nitrophenyl)methyl]carbamate
CID 11288917
2-(N-hydroxyanilino)-2-(2-nitrophenyl)acetonitrile
CID 139593766
2-(dimethylamino)-2-(2-nitrophenyl)acetonitrile
CID 84757692
2-(5-nitrothiophen-2-yl)-2-(1-phenylethylamino)acetonitrile
CID 84817252
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
CID 71293872
N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine
CID 30789921
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
2-(3-nitrophenyl)-2-(1-phenylethylamino)acetonitrile
CID 84817247

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile?
The IUPAC name of (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile (CID 57413320) is (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile?
The canonical SMILES for (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile is N#C[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile?
The InChIKey is LNFYTFVOQVYSKD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17N3O2/c22-15-19(18-13-7-8-14-20(18)24(25)26)23-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19,21,23H/t19-/m0/s1.
What are the key properties of (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile?
(2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile has a molecular weight of 343.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzhydrylamino)-2-(2-nitrophenyl)acetonitrile is sourced from PubChem (CID 57413320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).