4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide

C22H24ClNO2 — CID 44572003

IUPAC4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(-c2ccccc2Cl)cc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H24ClNO2/c23-21-6-2-1-5-20(21)17-9-11-18(12-10-17)22(25)24(14-16-7-8-16)15-19-4-3-13-26-19/h1-2,5-6,9-12,16,19H,3-4,7-8,13-15H2
InChIKeyNCHVKNFAPCWDJI-UHFFFAOYSA-N
MW369.89 g/mol
LogP5.04
Rot. Bonds6

About 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide

4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 44572003) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID44572003
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(-c2ccccc2Cl)cc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H24ClNO2/c23-21-6-2-1-5-20(21)17-9-11-18(12-10-17)22(25)24(14-16-7-8-16)15-19-4-3-13-26-19/h1-2,5-6,9-12,16,19H,3-4,7-8,13-15H2
InChIKeyNCHVKNFAPCWDJI-UHFFFAOYSA-N
XLogP5.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.89
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide (CID 44572003) is 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide is O=C(c1ccc(-c2ccccc2Cl)cc1)N(CC1CC1)CC1CCCO1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is NCHVKNFAPCWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/c23-21-6-2-1-5-20(21)17-9-11-18(12-10-17)22(25)24(14-16-7-8-16)15-19-4-3-13-26-19/h1-2,5-6,9-12,16,19H,3-4,7-8,13-15H2.
What are the key properties of 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 369.89 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 44572003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).