4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide

C21H21ClN2O2 — CID 44578564

IUPAC4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCC1CC1)c1ccc(-c2cc(C(=O)NC3CC3)ccc2Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c22-19-10-7-16(21(26)24-17-8-9-17)11-18(19)14-3-5-15(6-4-14)20(25)23-12-13-1-2-13/h3-7,10-11,13,17H,1-2,8-9,12H2,(H,23,25)(H,24,26)
InChIKeyLCHMPMDNAFCOPU-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.04
Rot. Bonds6

About 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide

4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide (PubChem CID 44578564) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide
PubChem CID44578564
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCC1CC1)c1ccc(-c2cc(C(=O)NC3CC3)ccc2Cl)cc1
InChIInChI=1S/C21H21ClN2O2/c22-19-10-7-16(21(26)24-17-8-9-17)11-18(19)14-3-5-15(6-4-14)20(25)23-12-13-1-2-13/h3-7,10-11,13,17H,1-2,8-9,12H2,(H,23,25)(H,24,26)
InChIKeyLCHMPMDNAFCOPU-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide (CID 44578564) is 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide is O=C(NCC1CC1)c1ccc(-c2cc(C(=O)NC3CC3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is LCHMPMDNAFCOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-19-10-7-16(21(26)24-17-8-9-17)11-18(19)14-3-5-15(6-4-14)20(25)23-12-13-1-2-13/h3-7,10-11,13,17H,1-2,8-9,12H2,(H,23,25)(H,24,26).
What are the key properties of 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide?
4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 368.86 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 44578564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).