2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide

C17H19ClN2O2 — CID 70079864

IUPAC2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(OCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-19-16(21)11-20-17(14-7-3-2-4-8-14)22-12-13-6-5-9-15(18)10-13/h2-10,17,20H,11-12H2,1H3,(H,19,21)
InChIKeyRNMMFEBSFNEQDL-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.89
Rot. Bonds7

About 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide

2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide (PubChem CID 70079864) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide
PubChem CID70079864
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNC(OCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-19-16(21)11-20-17(14-7-3-2-4-8-14)22-12-13-6-5-9-15(18)10-13/h2-10,17,20H,11-12H2,1H3,(H,19,21)
InChIKeyRNMMFEBSFNEQDL-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3,5-dichlorophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8771892
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
CID 139767883
2-[(3-chlorophenyl)methoxy]pentanoic acid
CID 83038083
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide
CID 118654886
(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
CID 23625504
N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
(2S)-2-[2-(3-chlorophenyl)ethylamino]-5-(methylamino)-5-oxopentanoic acid;hydrochloride
CID 166748763
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide (CID 70079864) is 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide is CNC(=O)CNC(OCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide?
The InChIKey is RNMMFEBSFNEQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-19-16(21)11-20-17(14-7-3-2-4-8-14)22-12-13-6-5-9-15(18)10-13/h2-10,17,20H,11-12H2,1H3,(H,19,21).
What are the key properties of 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide?
2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide has a molecular weight of 318.80 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chlorophenyl)methoxy-phenylmethyl]amino]-N-methylacetamide is sourced from PubChem (CID 70079864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).