N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide

C19H21FN2O3 — CID 113054651

IUPACN-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C19H21FN2O3/c1-14(23)22(13-15-7-9-16(20)10-8-15)12-11-21-19(24)17-5-3-4-6-18(17)25-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyVRCCLZJQHHWUSN-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.61
Rot. Bonds7

About N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide

N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide (PubChem CID 113054651) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
PubChem CID113054651
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(Cc1ccc(F)cc1)C(C)=O
InChIInChI=1S/C19H21FN2O3/c1-14(23)22(13-15-7-9-16(20)10-8-15)12-11-21-19(24)17-5-3-4-6-18(17)25-2/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeyVRCCLZJQHHWUSN-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055301
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055103
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
CID 113053530
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054653
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 113054680
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113119269
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-methoxybenzamide
CID 113064434
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
CID 113055827
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113054955

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide (CID 113054651) is N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN(Cc1ccc(F)cc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide?
The InChIKey is VRCCLZJQHHWUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-14(23)22(13-15-7-9-16(20)10-8-15)12-11-21-19(24)17-5-3-4-6-18(17)25-2/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide?
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide has a molecular weight of 344.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113054651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).