N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide

C19H15N3O — CID 90835747

IUPACN-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide
SMILESN#CCc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)[nH]1
InChIInChI=1S/C19H15N3O/c20-13-12-17-10-11-18(21-17)14-6-8-16(9-7-14)22-19(23)15-4-2-1-3-5-15/h1-11,21H,12H2,(H,22,23)
InChIKeyNJCLKVONERKTLZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.00
Rot. Bonds4

About N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide

N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide (PubChem CID 90835747) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide
PubChem CID90835747
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC NameN-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide
SMILESN#CCc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)[nH]1
InChIInChI=1S/C19H15N3O/c20-13-12-17-10-11-18(21-17)14-6-8-16(9-7-14)22-19(23)15-4-2-1-3-5-15/h1-11,21H,12H2,(H,22,23)
InChIKeyNJCLKVONERKTLZ-UHFFFAOYSA-N
XLogP4.00
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]furan-2-carboxamide
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4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
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4-[[3-(cyanomethyl)benzoyl]amino]benzoic acid
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N-[4-[6-(1,2,2-tricyanoethenylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 168608096
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2-benzamido-N-(4-phenylphenyl)benzamide
CID 5224038
N-[4-(cyanomethyl)phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9260093
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-[4-(cyanomethyl)phenyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9260427
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide?
The IUPAC name of N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide (CID 90835747) is N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide is N#CCc1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)[nH]1.
What is the InChIKey of N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide?
The InChIKey is NJCLKVONERKTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c20-13-12-17-10-11-18(21-17)14-6-8-16(9-7-14)22-19(23)15-4-2-1-3-5-15/h1-11,21H,12H2,(H,22,23).
What are the key properties of N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide?
N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide has a molecular weight of 301.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(cyanomethyl)-1H-pyrrol-2-yl]phenyl]benzamide is sourced from PubChem (CID 90835747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).