N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide

C18H20FN3O2 — CID 39184050

IUPACN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(F)cc2NC(=O)CN)cc1
InChIInChI=1S/C18H20FN3O2/c1-12-2-4-13(5-3-12)6-9-17(23)21-15-8-7-14(19)10-16(15)22-18(24)11-20/h2-5,7-8,10H,6,9,11,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyBEDRVCOLHDAMLZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.60
Rot. Bonds6

About N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide

N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide (PubChem CID 39184050) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide
PubChem CID39184050
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(F)cc2NC(=O)CN)cc1
InChIInChI=1S/C18H20FN3O2/c1-12-2-4-13(5-3-12)6-9-17(23)21-15-8-7-14(19)10-16(15)22-18(24)11-20/h2-5,7-8,10H,6,9,11,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyBEDRVCOLHDAMLZ-UHFFFAOYSA-N
XLogP2.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28713220
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 39184054
4-amino-N-[5-methyl-2-(3-phenylpropanoylamino)phenyl]butanamide
CID 39193717
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
CID 39183994
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-fluorobenzamide
CID 39185722
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 63753752
3-(4-cyanophenyl)-N-(2,5-difluorophenyl)propanamide
CID 41484985

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide (CID 39184050) is N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc(F)cc2NC(=O)CN)cc1.
What is the InChIKey of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is BEDRVCOLHDAMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-2-4-13(5-3-12)6-9-17(23)21-15-8-7-14(19)10-16(15)22-18(24)11-20/h2-5,7-8,10H,6,9,11,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide?
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 329.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 39184050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).