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

C22H24ClNO2 — CID 44572104

IUPAC4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)cc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H24ClNO2/c23-20-11-9-18(10-12-20)17-5-7-19(8-6-17)22(25)24(14-16-3-4-16)15-21-2-1-13-26-21/h5-12,16,21H,1-4,13-15H2
InChIKeyLRVFSGYUCXZPOA-UHFFFAOYSA-N
MW369.89 g/mol
LogP5.04
Rot. Bonds6

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

4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 44572104) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID44572104
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)cc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H24ClNO2/c23-20-11-9-18(10-12-20)17-5-7-19(8-6-17)22(25)24(14-16-3-4-16)15-21-2-1-13-26-21/h5-12,16,21H,1-4,13-15H2
InChIKeyLRVFSGYUCXZPOA-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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Related Compounds

N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 42611262
(4-Chlorophenyl)[2-(4-morpholinylcarbonyl)phenyl]methanone
CID 781328
1-(4-chlorobenzoyl)-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2921033
N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-carboxamide
CID 4017619
N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571491
4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572003
N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44572048
4-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572103
4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572047
Benzamide, N-tetrahydrofurfuryl-4-chloro-
CID 532194
N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 2788416
Cambridge id 7033476
CID 2924784

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide (CID 44572104) is 4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide is O=C(c1ccc(-c2ccc(Cl)cc2)cc1)N(CC1CC1)CC1CCCO1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is LRVFSGYUCXZPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/c23-20-11-9-18(10-12-20)17-5-7-19(8-6-17)22(25)24(14-16-3-4-16)15-21-2-1-13-26-21/h5-12,16,21H,1-4,13-15H2.
What are the key properties of 4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
4-(4-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-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 44572104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).