N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

C21H25BrFN3O2 — CID 55503659

IUPACN-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C21H25BrFN3O2/c1-3-6-19(20(27)25-14(2)17-7-4-5-8-18(17)22)26-21(28)24-13-15-9-11-16(23)12-10-15/h4-5,7-12,14,19H,3,6,13H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyJHWMVWYBMFCGSW-UHFFFAOYSA-N
MW450.35 g/mol
LogP4.43
Rot. Bonds8

About N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide (PubChem CID 55503659) has the molecular formula C21H25BrFN3O2 and a molecular weight of 450.35 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
PubChem CID55503659
Molecular FormulaC21H25BrFN3O2
Molecular Weight450.35 g/mol
Exact Mass449.11
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C21H25BrFN3O2/c1-3-6-19(20(27)25-14(2)17-7-4-5-8-18(17)22)26-21(28)24-13-15-9-11-16(23)12-10-15/h4-5,7-12,14,19H,3,6,13H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyJHWMVWYBMFCGSW-UHFFFAOYSA-N
XLogP4.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.35
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 42933788
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
1-[(1S)-1-(2-bromophenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 41134387
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 43066891
N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119616288
3-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl-methylamino]-2-methylpropanoic acid
CID 119228249
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide (CID 55503659) is N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The InChIKey is JHWMVWYBMFCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrFN3O2/c1-3-6-19(20(27)25-14(2)17-7-4-5-8-18(17)22)26-21(28)24-13-15-9-11-16(23)12-10-15/h4-5,7-12,14,19H,3,6,13H2,1-2H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide has a molecular weight of 450.35 g/mol, XLogP of 4.43, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide is sourced from PubChem (CID 55503659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).