3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide

C23H22ClNO2 — CID 18466097

IUPAC3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide
SMILESCOc1ccc2cccc3c2c1CCC3CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C23H22ClNO2/c1-27-21-11-9-16-4-3-7-19-15(8-10-20(21)22(16)19)12-13-25-23(26)17-5-2-6-18(24)14-17/h2-7,9,11,14-15H,8,10,12-13H2,1H3,(H,25,26)
InChIKeyODMKDUKQECRSOW-UHFFFAOYSA-N
MW379.89 g/mol
LogP5.35
Rot. Bonds5

About 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide

3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide (PubChem CID 18466097) has the molecular formula C23H22ClNO2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide
PubChem CID18466097
Molecular FormulaC23H22ClNO2
Molecular Weight379.89 g/mol
Exact Mass379.13
IUPAC Name3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide
SMILESCOc1ccc2cccc3c2c1CCC3CCNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C23H22ClNO2/c1-27-21-11-9-16-4-3-7-19-15(8-10-20(21)22(16)19)12-13-25-23(26)17-5-2-6-18(24)14-17/h2-7,9,11,14-15H,8,10,12-13H2,1H3,(H,25,26)
InChIKeyODMKDUKQECRSOW-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.89
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide
CID 18466087
4-(4-chloro-2,3-dihydro-1H-phenalen-1-yl)-N-hexylbutanamide
CID 18466227
3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 27838766
3-chloro-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]benzamide
CID 110357946
N-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide
CID 129168538
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
CID 134800977
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
3-chloro-N-[[6,7-dimethoxy-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzamide
CID 42826936

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide (CID 18466097) is 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide is COc1ccc2cccc3c2c1CCC3CCNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide?
The InChIKey is ODMKDUKQECRSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO2/c1-27-21-11-9-16-4-3-7-19-15(8-10-20(21)22(16)19)12-13-25-23(26)17-5-2-6-18(24)14-17/h2-7,9,11,14-15H,8,10,12-13H2,1H3,(H,25,26).
What are the key properties of 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide?
3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide has a molecular weight of 379.89 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)ethyl]benzamide is sourced from PubChem (CID 18466097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).