4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide

C18H20ClNO2 — CID 110297627

IUPAC4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-22-17-7-3-2-6-15(17)13-20-18(21)8-4-5-14-9-11-16(19)12-10-14/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,20,21)
InChIKeyWBDNIYQRYKWZJT-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.99
Rot. Bonds7

About 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide

4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide (PubChem CID 110297627) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
PubChem CID110297627
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-22-17-7-3-2-6-15(17)13-20-18(21)8-4-5-14-9-11-16(19)12-10-14/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,20,21)
InChIKeyWBDNIYQRYKWZJT-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pentanamide
CID 110297825
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
N-[(4-chlorophenyl)methyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108998211
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
1-[2-(4-chlorophenyl)ethenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 3748194
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9270323
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190170

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide (CID 110297627) is 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide is COc1ccccc1CNC(=O)CCCc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide?
The InChIKey is WBDNIYQRYKWZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-22-17-7-3-2-6-15(17)13-20-18(21)8-4-5-14-9-11-16(19)12-10-14/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,20,21).
What are the key properties of 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide?
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide has a molecular weight of 317.82 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 110297627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).