N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

C17H17ClF2N2O — CID 9376233

IUPACN-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17ClF2N2O/c1-11(13-4-7-15(19)16(20)8-13)21-10-17(23)22-9-12-2-5-14(18)6-3-12/h2-8,11,21H,9-10H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyXICADXGAECCDDV-NSHDSACASA-N
MW338.79 g/mol
LogP3.59
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 9376233) has the molecular formula C17H17ClF2N2O and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID9376233
Molecular FormulaC17H17ClF2N2O
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17ClF2N2O/c1-11(13-4-7-15(19)16(20)8-13)21-10-17(23)22-9-12-2-5-14(18)6-3-12/h2-8,11,21H,9-10H2,1H3,(H,22,23)/t11-/m0/s1
InChIKeyXICADXGAECCDDV-NSHDSACASA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377009
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
2-[1-(4-chlorophenyl)ethylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 87013552
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8638855
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 75497285
2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 40939435
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
(2R)-2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 83193742
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (CID 9376233) is N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)NCc1ccc(Cl)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is XICADXGAECCDDV-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClF2N2O/c1-11(13-4-7-15(19)16(20)8-13)21-10-17(23)22-9-12-2-5-14(18)6-3-12/h2-8,11,21H,9-10H2,1H3,(H,22,23)/t11-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 338.79 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9376233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).