N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide

C22H18ClN3O — CID 171370839

IUPACN-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1[nH]nc2ccccc12
InChIInChI=1S/C22H18ClN3O/c23-18-12-10-17(11-13-18)22(27)26(14-16-6-2-1-3-7-16)15-21-19-8-4-5-9-20(19)24-25-21/h1-13H,14-15H2,(H,24,25)
InChIKeyOACPZKRVMJOEPO-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.06
Rot. Bonds5

About N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide

N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide (PubChem CID 171370839) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide
PubChem CID171370839
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC NameN-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1[nH]nc2ccccc12
InChIInChI=1S/C22H18ClN3O/c23-18-12-10-17(11-13-18)22(27)26(14-16-6-2-1-3-7-16)15-21-19-8-4-5-9-20(19)24-25-21/h1-13H,14-15H2,(H,24,25)
InChIKeyOACPZKRVMJOEPO-UHFFFAOYSA-N
XLogP5.06
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(6-chloro-2H-indazol-3-yl)methyl]-N-(2-hydroxyethyl)carbamate
CID 175949318
4-(dibenzylcarbamoyl)benzoic acid
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N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
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N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-[(4-chlorophenyl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
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N-benzyl-2,5-dichloro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738069
(2R)-2-amino-3-(2H-indazol-3-yl)propanoic acid
CID 90478787
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide
CID 42701072
N-benzyl-4-chloro-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 4044642
3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
CID 23194192
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide?
The IUPAC name of N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide (CID 171370839) is N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide is O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1[nH]nc2ccccc12.
What is the InChIKey of N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide?
The InChIKey is OACPZKRVMJOEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-18-12-10-17(11-13-18)22(27)26(14-16-6-2-1-3-7-16)15-21-19-8-4-5-9-20(19)24-25-21/h1-13H,14-15H2,(H,24,25).
What are the key properties of N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide?
N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide has a molecular weight of 375.86 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-(2H-indazol-3-ylmethyl)benzamide is sourced from PubChem (CID 171370839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).