N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide

C23H20N4O2 — CID 121264724

IUPACN-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NC(C(=O)NC(N)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c24-15-16-11-13-19(14-12-16)22(28)26-20(17-7-3-1-4-8-17)23(29)27-21(25)18-9-5-2-6-10-18/h1-14,20-21H,25H2,(H,26,28)(H,27,29)
InChIKeyAZUXXIIGIHLPBE-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.80
Rot. Bonds6

About N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide

N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide (PubChem CID 121264724) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide
PubChem CID121264724
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NC(C(=O)NC(N)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H20N4O2/c24-15-16-11-13-19(14-12-16)22(28)26-20(17-7-3-1-4-8-17)23(29)27-21(25)18-9-5-2-6-10-18/h1-14,20-21H,25H2,(H,26,28)(H,27,29)
InChIKeyAZUXXIIGIHLPBE-UHFFFAOYSA-N
XLogP2.80
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
4-cyano-N-[cyano(phenyl)methyl]benzamide
CID 60659354
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
methyl (2R)-2-phenyl-2-[[4-(2-phenylethynyl)benzoyl]amino]acetate
CID 71580592
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
4-cyano-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936275
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
4-[amino-[[amino(phenyl)methyl]amino]methyl]benzonitrile
CID 155017019
4-cyano-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 96568296
4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286608
4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
2-(4-cyanoanilino)-2-phenylacetic acid
CID 22039129

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide?
The IUPAC name of N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide (CID 121264724) is N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide?
The canonical SMILES for N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide is N#Cc1ccc(C(=O)NC(C(=O)NC(N)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide?
The InChIKey is AZUXXIIGIHLPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-15-16-11-13-19(14-12-16)22(28)26-20(17-7-3-1-4-8-17)23(29)27-21(25)18-9-5-2-6-10-18/h1-14,20-21H,25H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide?
N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide has a molecular weight of 384.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino(phenyl)methyl]amino]-2-oxo-1-phenylethyl]-4-cyanobenzamide is sourced from PubChem (CID 121264724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).