N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

C20H20ClFN4O2 — CID 55541822

IUPACN-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C20H20ClFN4O2/c1-2-3-18(19(27)25-16-8-9-17(21)14(10-16)11-23)26-20(28)24-12-13-4-6-15(22)7-5-13/h4-10,18H,2-3,12H2,1H3,(H,25,27)(H2,24,26,28)
InChIKeyKSSLFWGBDKAGGQ-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.96
Rot. Bonds7

About N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide (PubChem CID 55541822) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
PubChem CID55541822
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC NameN-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C20H20ClFN4O2/c1-2-3-18(19(27)25-16-8-9-17(21)14(10-16)11-23)26-20(28)24-12-13-4-6-15(22)7-5-13/h4-10,18H,2-3,12H2,1H3,(H,25,27)(H2,24,26,28)
InChIKeyKSSLFWGBDKAGGQ-UHFFFAOYSA-N
XLogP3.96
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-chloro-5-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate
CID 55556722
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(1H-indazol-5-yl)pentanamide
CID 71943301
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 41181659
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-methoxy-3-sulfamoylphenyl)pentanamide
CID 24634494
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
N-[1-(2-chlorophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 42933788
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[3-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 55679433
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 43066891
N-[3-[[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]methyl]phenyl]furan-2-carboxamide
CID 46401280

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide (CID 55541822) is N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C#N)c1.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The InChIKey is KSSLFWGBDKAGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-2-3-18(19(27)25-16-8-9-17(21)14(10-16)11-23)26-20(28)24-12-13-4-6-15(22)7-5-13/h4-10,18H,2-3,12H2,1H3,(H,25,27)(H2,24,26,28).
What are the key properties of N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide has a molecular weight of 402.86 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide is sourced from PubChem (CID 55541822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).