N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide

C20H22ClNO3 — CID 108742175

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC2CCOc3ccc(Cl)cc32)c1
InChIInChI=1S/C20H22ClNO3/c1-13(2)12-25-16-5-3-4-14(10-16)20(23)22-18-8-9-24-19-7-6-15(21)11-17(18)19/h3-7,10-11,13,18H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyDIVFGMHXMASIHG-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.63
Rot. Bonds5

About N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide

N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide (PubChem CID 108742175) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
PubChem CID108742175
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NC2CCOc3ccc(Cl)cc32)c1
InChIInChI=1S/C20H22ClNO3/c1-13(2)12-25-16-5-3-4-14(10-16)20(23)22-18-8-9-24-19-7-6-15(21)11-17(18)19/h3-7,10-11,13,18H,8-9,12H2,1-2H3,(H,22,23)
InChIKeyDIVFGMHXMASIHG-UHFFFAOYSA-N
XLogP4.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-4-(2-methylpropoxy)benzamide
CID 47006594
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
2-[3-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]phenoxy]acetic acid
CID 120552679
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
N-(3-methylcyclopentyl)-3-(2-methylpropoxy)benzamide
CID 114550259
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716
2-(4-bromophenoxy)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742340

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide (CID 108742175) is N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NC2CCOc3ccc(Cl)cc32)c1.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide?
The InChIKey is DIVFGMHXMASIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-13(2)12-25-16-5-3-4-14(10-16)20(23)22-18-8-9-24-19-7-6-15(21)11-17(18)19/h3-7,10-11,13,18H,8-9,12H2,1-2H3,(H,22,23).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide?
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide has a molecular weight of 359.85 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 108742175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).