5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide

C26H23N3O2 — CID 154453798

IUPAC5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide
SMILESCc1cc(-c2cccc(C#N)c2)c(C(=O)NCC2CC2)cc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C26H23N3O2/c1-16-11-23(21-4-2-3-18(12-21)14-27)24(26(31)29-15-17-5-6-17)13-22(16)19-7-9-20(10-8-19)25(28)30/h2-4,7-13,17H,5-6,15H2,1H3,(H2,28,30)(H,29,31)
InChIKeyYMEFHDZURKOYGH-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.44
Rot. Bonds6

About 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide

5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide (PubChem CID 154453798) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide.

Molecular Properties

Compound Name5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide
PubChem CID154453798
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide
SMILESCc1cc(-c2cccc(C#N)c2)c(C(=O)NCC2CC2)cc1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C26H23N3O2/c1-16-11-23(21-4-2-3-18(12-21)14-27)24(26(31)29-15-17-5-6-17)13-22(16)19-7-9-20(10-8-19)25(28)30/h2-4,7-13,17H,5-6,15H2,1H3,(H2,28,30)(H,29,31)
InChIKeyYMEFHDZURKOYGH-UHFFFAOYSA-N
XLogP4.44
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-4-methyl-N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)benzamide
CID 154453800
2-(3-cyanophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46890786
1-N-(3-tert-butylphenyl)-2-N-(cyclopropylmethyl)-4-methyl-5-phenylbenzene-1,2-dicarboxamide
CID 154453784
N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078798
4-(5-cyano-2-hydroxyphenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 122560531
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
3-(4-cyanophenyl)-4-methylbenzamide
CID 154460991
ethyl 4-(3-cyanophenyl)benzoate
CID 71764677
2-(3-cyanophenyl)-N-propylbenzamide
CID 56707495
4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
CID 69201439
N-[(3-cyanophenyl)methyl]-4-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304061
N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304064

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide?
The IUPAC name of 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide (CID 154453798) is 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide.
What is the SMILES notation for 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide?
The canonical SMILES for 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide is Cc1cc(-c2cccc(C#N)c2)c(C(=O)NCC2CC2)cc1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide?
The InChIKey is YMEFHDZURKOYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-16-11-23(21-4-2-3-18(12-21)14-27)24(26(31)29-15-17-5-6-17)13-22(16)19-7-9-20(10-8-19)25(28)30/h2-4,7-13,17H,5-6,15H2,1H3,(H2,28,30)(H,29,31).
What are the key properties of 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide?
5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide has a molecular weight of 409.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoylphenyl)-2-(3-cyanophenyl)-N-(cyclopropylmethyl)-4-methylbenzamide is sourced from PubChem (CID 154453798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).