3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide

C18H20ClNO2 — CID 46487521

IUPAC3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-12(2)22-17-9-5-6-14(11-17)13(3)20-18(21)15-7-4-8-16(19)10-15/h4-13H,1-3H3,(H,20,21)
InChIKeyHPQRCFIXUIBFSK-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.62
Rot. Bonds5

About 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide

3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 46487521) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID46487521
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO2/c1-12(2)22-17-9-5-6-14(11-17)13(3)20-18(21)15-7-4-8-16(19)10-15/h4-13H,1-3H3,(H,20,21)
InChIKeyHPQRCFIXUIBFSK-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
CID 107025485
3-chloro-N-propan-2-ylbenzamide
CID 669184
5-iodo-N-[1-(3-propan-2-yloxyphenyl)ethyl]thiophene-3-carboxamide
CID 78949901
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
CID 106685966
N-[1-(3-propan-2-yloxyphenyl)ethyl]-3-(propylsulfonylamino)benzamide
CID 55717538
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide (CID 46487521) is 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide is CC(C)Oc1cccc(C(C)NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is HPQRCFIXUIBFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-12(2)22-17-9-5-6-14(11-17)13(3)20-18(21)15-7-4-8-16(19)10-15/h4-13H,1-3H3,(H,20,21).
What are the key properties of 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 317.82 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46487521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).