N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide

C19H21FN2O2 — CID 3943943

IUPACN-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
SMILESCC(NC(=O)CCC(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-14(16-5-3-2-4-6-16)22-19(24)12-11-18(23)21-13-15-7-9-17(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyDNEQEYAWAWTCKE-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.10
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide

N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide (PubChem CID 3943943) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
PubChem CID3943943
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
SMILESCC(NC(=O)CCC(=O)NCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H21FN2O2/c1-14(16-5-3-2-4-6-16)22-19(24)12-11-18(23)21-13-15-7-9-17(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyDNEQEYAWAWTCKE-UHFFFAOYSA-N
XLogP3.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
3-(benzylcarbamoylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 41236910
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
3-(benzylcarbamoylamino)-N-(1-phenylethyl)propanamide
CID 42698521
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949028
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(1-phenylethyl)propanamide
CID 113121082
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide (CID 3943943) is N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide is CC(NC(=O)CCC(=O)NCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide?
The InChIKey is DNEQEYAWAWTCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(16-5-3-2-4-6-16)22-19(24)12-11-18(23)21-13-15-7-9-17(20)10-8-15/h2-10,14H,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide?
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide has a molecular weight of 328.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide is sourced from PubChem (CID 3943943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).