N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide

C17H18ClNO2 — CID 114299962

IUPACN-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(CCl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-16-9-4-13(5-10-16)6-11-17(20)19-15-7-2-14(12-18)3-8-15/h2-5,7-10H,6,11-12H2,1H3,(H,19,20)
InChIKeyRPBBYRLLGLWHAT-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.01
Rot. Bonds6

About N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide

N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 114299962) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
PubChem CID114299962
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(CCl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-16-9-4-13(5-10-16)6-11-17(20)19-15-7-2-14(12-18)3-8-15/h2-5,7-10H,6,11-12H2,1H3,(H,19,20)
InChIKeyRPBBYRLLGLWHAT-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
2-[[2-[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224448
3-(4-methoxyphenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 46674282
N-(4-methoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 27228930
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
N-[(E)-4-chlorobut-2-enyl]-3-(4-methoxyphenyl)propanamide
CID 81429759
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
3-[2-(4-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)propanamide
CID 109028071
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide (CID 114299962) is N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(CCl)cc2)cc1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is RPBBYRLLGLWHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-16-9-4-13(5-10-16)6-11-17(20)19-15-7-2-14(12-18)3-8-15/h2-5,7-10H,6,11-12H2,1H3,(H,19,20).
What are the key properties of N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide?
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 303.79 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 114299962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).