4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide

C18H18F2N2O4 — CID 134013102

IUPAC4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(F)c(F)c2)ccc1OCC(N)=O
InChIInChI=1S/C18H18F2N2O4/c1-10(11-3-5-13(19)14(20)7-11)22-18(24)12-4-6-15(16(8-12)25-2)26-9-17(21)23/h3-8,10H,9H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeySNEJHNZYSFVKGI-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.33
Rot. Bonds7

About 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide (PubChem CID 134013102) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
PubChem CID134013102
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(F)c(F)c2)ccc1OCC(N)=O
InChIInChI=1S/C18H18F2N2O4/c1-10(11-3-5-13(19)14(20)7-11)22-18(24)12-4-6-15(16(8-12)25-2)26-9-17(21)23/h3-8,10H,9H2,1-2H3,(H2,21,23)(H,22,24)
InChIKeySNEJHNZYSFVKGI-UHFFFAOYSA-N
XLogP2.33
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
2-[5-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-2-methoxyphenoxy]acetamide
CID 95624444
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18084333
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
(2S)-2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119237902
4-(2-amino-2-oxoethoxy)-N-[(4-chlorophenyl)-phenylmethyl]-3-methoxybenzamide
CID 55414528
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968315
ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959966

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide (CID 134013102) is 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide is COc1cc(C(=O)NC(C)c2ccc(F)c(F)c2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide?
The InChIKey is SNEJHNZYSFVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-10(11-3-5-13(19)14(20)7-11)22-18(24)12-4-6-15(16(8-12)25-2)26-9-17(21)23/h3-8,10H,9H2,1-2H3,(H2,21,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide has a molecular weight of 364.35 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 134013102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).