(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide

C17H17Cl2FN2O — CID 97076543

IUPAC(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide
SMILESNC(=O)C(CNCc1c(Cl)cccc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C17H17Cl2FN2O/c18-15-2-1-3-16(19)14(15)10-22-9-12(17(21)23)8-11-4-6-13(20)7-5-11/h1-7,12,22H,8-10H2,(H2,21,23)
InChIKeyHBXFSABXLMVNDG-UHFFFAOYSA-N
MW355.24 g/mol
LogP3.57
Rot. Bonds7

About (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide

(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide (PubChem CID 97076543) has the molecular formula C17H17Cl2FN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide
PubChem CID97076543
Molecular FormulaC17H17Cl2FN2O
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide
SMILESNC(=O)C(CNCc1c(Cl)cccc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C17H17Cl2FN2O/c18-15-2-1-3-16(19)14(15)10-22-9-12(17(21)23)8-11-4-6-13(20)7-5-11/h1-7,12,22H,8-10H2,(H2,21,23)
InChIKeyHBXFSABXLMVNDG-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 61495740
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
CID 60587400
2-[[(3-chloro-4-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 75442225
(2S)-2-[[(5-chloro-2-pyridinyl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 97120503
(2S)-2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-fluorophenyl)propanamide
CID 95322125
2-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide;hydroiodide
CID 111198111
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 56800018
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 95590890
2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
CID 56819916
trans-(1R,2R)-N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-phenylcyclopropane-1-carboxamide
CID 124735793
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide (CID 97076543) is (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide is NC(=O)C(CNCc1c(Cl)cccc1Cl)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is HBXFSABXLMVNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O/c18-15-2-1-3-16(19)14(15)10-22-9-12(17(21)23)8-11-4-6-13(20)7-5-11/h1-7,12,22H,8-10H2,(H2,21,23).
What are the key properties of (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide?
(2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 355.24 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2,6-dichlorophenyl)methylamino]methyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 97076543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).