3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C19H22ClNO3 — CID 100564569

IUPAC3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO3/c1-4-23-18-10-7-15(11-17(18)20)19(22)21-12-14-5-8-16(9-6-14)24-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyURRPTBBLPLUXIV-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.46
Rot. Bonds7

About 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 100564569) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID100564569
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO3/c1-4-23-18-10-7-15(11-17(18)20)19(22)21-12-14-5-8-16(9-6-14)24-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyURRPTBBLPLUXIV-UHFFFAOYSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588763
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 2214920
N-[(3-chloro-4-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110782051
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911154
N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704146
3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
CID 61095701
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 100564569) is 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is URRPTBBLPLUXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-23-18-10-7-15(11-17(18)20)19(22)21-12-14-5-8-16(9-6-14)24-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 347.84 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 100564569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).