N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide

C17H18ClNO3 — CID 4962456

IUPACN-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
SMILESCOc1ccc(C(NC(=O)CCl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18ClNO3/c1-21-14-7-3-12(4-8-14)17(19-16(20)11-18)13-5-9-15(22-2)10-6-13/h3-10,17H,11H2,1-2H3,(H,19,20)
InChIKeyHZJCCFDHIZXGTH-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.15
Rot. Bonds6

About N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide

N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide (PubChem CID 4962456) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
PubChem CID4962456
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
SMILESCOc1ccc(C(NC(=O)CCl)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18ClNO3/c1-21-14-7-3-12(4-8-14)17(19-16(20)11-18)13-5-9-15(22-2)10-6-13/h3-10,17H,11H2,1-2H3,(H,19,20)
InChIKeyHZJCCFDHIZXGTH-UHFFFAOYSA-N
XLogP3.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 18197515
(2S)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 154100928
methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
CID 166416138
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
N-[bis(4-methoxyphenyl)methyl]-2-(dipropylamino)acetamide
CID 34600383
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
N-[bis(4-methoxyphenyl)methyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18197624
3-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911529
2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 118117352
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
N-[(4-hydroxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 3801110

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide (CID 4962456) is N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide is COc1ccc(C(NC(=O)CCl)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide?
The InChIKey is HZJCCFDHIZXGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-14-7-3-12(4-8-14)17(19-16(20)11-18)13-5-9-15(22-2)10-6-13/h3-10,17H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide?
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide has a molecular weight of 319.79 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide is sourced from PubChem (CID 4962456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).