2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide

C20H24FN3O3 — CID 120986194

IUPAC2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C20H24FN3O3/c1-13(23-20(26)18(22)12-27-2)14-7-5-8-16(10-14)24-19(25)11-15-6-3-4-9-17(15)21/h3-10,13,18H,11-12,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKWHKYGWZEWADSI-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.16
Rot. Bonds8

About 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide

2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide (PubChem CID 120986194) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide
PubChem CID120986194
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)c1cccc(NC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C20H24FN3O3/c1-13(23-20(26)18(22)12-27-2)14-7-5-8-16(10-14)24-19(25)11-15-6-3-4-9-17(15)21/h3-10,13,18H,11-12,22H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKWHKYGWZEWADSI-UHFFFAOYSA-N
XLogP2.16
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-propan-2-yloxypropanamide
CID 87001497
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide
CID 86849698
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81083665
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 87045585
N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanediamide
CID 60980162
N-[1-(3-acetamidophenyl)ethyl]-2-aminopentanamide
CID 60981763
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[4-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16783462
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide (CID 120986194) is 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide is COCC(N)C(=O)NC(C)c1cccc(NC(=O)Cc2ccccc2F)c1.
What is the InChIKey of 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide?
The InChIKey is KWHKYGWZEWADSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-13(23-20(26)18(22)12-27-2)14-7-5-8-16(10-14)24-19(25)11-15-6-3-4-9-17(15)21/h3-10,13,18H,11-12,22H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide?
2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide has a molecular weight of 373.43 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]-3-methoxypropanamide is sourced from PubChem (CID 120986194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).