3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide

C19H22ClNO3 — CID 100563948

IUPAC3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide
SMILESCCCc1ccc(OCCNC(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-4-14-5-8-16(9-6-14)24-12-11-21-19(22)15-7-10-18(23-2)17(20)13-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22)
InChIKeyDQRPFRMSRBYLBY-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.11
Rot. Bonds8

About 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide

3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide (PubChem CID 100563948) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide
PubChem CID100563948
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide
SMILESCCCc1ccc(OCCNC(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C19H22ClNO3/c1-3-4-14-5-8-16(9-6-14)24-12-11-21-19(22)15-7-10-18(23-2)17(20)13-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22)
InChIKeyDQRPFRMSRBYLBY-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide
CID 100552706
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
4-[(3,4-dichloro-N-methylsulfonylanilino)methyl]-N-[2-(4-propylphenoxy)ethyl]benzamide
CID 100500616
5-chloro-2-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108540833
3,4-dimethoxy-N-[(Z)-3-oxo-3-[2-(4-propylphenoxy)ethylamino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 100564907
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
CID 41442755
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911
5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide
CID 4919266

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide?
The IUPAC name of 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide (CID 100563948) is 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide is CCCc1ccc(OCCNC(=O)c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide?
The InChIKey is DQRPFRMSRBYLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-4-14-5-8-16(9-6-14)24-12-11-21-19(22)15-7-10-18(23-2)17(20)13-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide?
3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide has a molecular weight of 347.84 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide is sourced from PubChem (CID 100563948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).