2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide

C22H22FN3O2 — CID 144886404

IUPAC2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide
SMILESNCC(=O)NC(Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C22H22FN3O2/c23-18-10-8-15(9-11-18)12-20(26-21(27)13-24)22(28)25-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,20H,12-14,24H2,(H,25,28)(H,26,27)
InChIKeySHXKKNWRLULAHX-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.28
Rot. Bonds7

About 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide

2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 144886404) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID144886404
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide
SMILESNCC(=O)NC(Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C22H22FN3O2/c23-18-10-8-15(9-11-18)12-20(26-21(27)13-24)22(28)25-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,20H,12-14,24H2,(H,25,28)(H,26,27)
InChIKeySHXKKNWRLULAHX-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]carbamate
CID 123454328
(2S)-N-[(2S)-3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(3-phenylpropanoylamino)butanediamide
CID 129094488
(2S)-N-[(2S)-3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-N'-[(2-methylpropan-2-yl)oxy]-2-(3-phenylpropanoylamino)butanediamide
CID 91824176
2-amino-N-(naphthalen-1-ylmethyl)acetamide
CID 62369786
(2S)-N'-(2,2-dimethylpropyl)-N-[(2S)-3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-(3-phenylpropanoylamino)butanediamide
CID 162648106
(2S)-N-[(2S)-3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]butanediamide
CID 144886401
2-[(2-aminoacetyl)amino]-N-(formamidomethyl)-3-naphthalen-1-ylpropanamide
CID 143400351
(2S)-N'-tert-butyl-N-[3-(4-fluorophenyl)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]butanediamide
CID 129094805
CID 173297527
CID 173297527
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetic acid
CID 6992441
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-N-[(3-iodophenyl)methyl]-3-phenylpropanamide
CID 71418593
2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
CID 10268658

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide (CID 144886404) is 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide is NCC(=O)NC(Cc1ccc(F)cc1)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is SHXKKNWRLULAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-18-10-8-15(9-11-18)12-20(26-21(27)13-24)22(28)25-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,20H,12-14,24H2,(H,25,28)(H,26,27).
What are the key properties of 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide?
2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 379.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-3-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 144886404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).