N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide

C22H18N4O3 — CID 55372952

IUPACN-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N4O3/c23-14-15-29-20-12-10-18(11-13-20)24-21(27)16-6-8-19(9-7-16)26-22(28)25-17-4-2-1-3-5-17/h1-13H,15H2,(H,24,27)(H2,25,26,28)
InChIKeyLVOAHMDDWGMGTD-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.49
Rot. Bonds6

About N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide

N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 55372952) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID55372952
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide
SMILESN#CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H18N4O3/c23-14-15-29-20-12-10-18(11-13-20)24-21(27)16-6-8-19(9-7-16)26-22(28)25-17-4-2-1-3-5-17/h1-13H,15H2,(H,24,27)(H2,25,26,28)
InChIKeyLVOAHMDDWGMGTD-UHFFFAOYSA-N
XLogP4.49
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
4-anilino-N-[4-(cyanomethoxy)phenyl]-3-nitrobenzamide
CID 24674135
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide (CID 55372952) is N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide is N#CCOc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is LVOAHMDDWGMGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c23-14-15-29-20-12-10-18(11-13-20)24-21(27)16-6-8-19(9-7-16)26-22(28)25-17-4-2-1-3-5-17/h1-13H,15H2,(H,24,27)(H2,25,26,28).
What are the key properties of N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide?
N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 386.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 55372952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).