N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide

C17H18FN3O2 — CID 39192988

IUPACN-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
SMILESNCCCC(=O)Nc1ccccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c18-13-9-7-12(8-10-13)17(23)21-15-5-2-1-4-14(15)20-16(22)6-3-11-19/h1-2,4-5,7-10H,3,6,11,19H2,(H,20,22)(H,21,23)
InChIKeyIMEOIJJMIZTFKH-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.76
Rot. Bonds6

About N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide

N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide (PubChem CID 39192988) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
PubChem CID39192988
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
SMILESNCCCC(=O)Nc1ccccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c18-13-9-7-12(8-10-13)17(23)21-15-5-2-1-4-14(15)20-16(22)6-3-11-19/h1-2,4-5,7-10H,3,6,11,19H2,(H,20,22)(H,21,23)
InChIKeyIMEOIJJMIZTFKH-UHFFFAOYSA-N
XLogP2.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
N-[2-(3-aminopropanoylamino)phenyl]-3-fluorobenzamide
CID 82034350
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566
tert-butyl N-[3-[2-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108920191
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
CID 39192900
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide (CID 39192988) is N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide is NCCCC(=O)Nc1ccccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide?
The InChIKey is IMEOIJJMIZTFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-9-7-12(8-10-13)17(23)21-15-5-2-1-4-14(15)20-16(22)6-3-11-19/h1-2,4-5,7-10H,3,6,11,19H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide?
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide has a molecular weight of 315.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 39192988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).