N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C19H20ClF2N3O2 — CID 86949406

IUPACN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCC(C)(NC(=O)CNC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H20ClF2N3O2/c1-19(2,15-8-7-14(22)9-16(15)20)25-17(26)11-24-18(27)23-10-12-3-5-13(21)6-4-12/h3-9H,10-11H2,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyLKNDNDGQAYPXEB-UHFFFAOYSA-N
MW395.84 g/mol
LogP3.47
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 86949406) has the molecular formula C19H20ClF2N3O2 and a molecular weight of 395.84 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID86949406
Molecular FormulaC19H20ClF2N3O2
Molecular Weight395.84 g/mol
Exact Mass395.12
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCC(C)(NC(=O)CNC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H20ClF2N3O2/c1-19(2,15-8-7-14(22)9-16(15)20)25-17(26)11-24-18(27)23-10-12-3-5-13(21)6-4-12/h3-9H,10-11H2,1-2H3,(H,25,26)(H2,23,24,27)
InChIKeyLKNDNDGQAYPXEB-UHFFFAOYSA-N
XLogP3.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)propan-2-yl]-2-(4-fluorophenyl)acetamide
CID 110440041
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(2-fluorophenyl)acetamide
CID 86948842
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 87022154
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide
CID 86949913
1-[(4-fluorophenyl)methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108867688
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 55498286
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55499002

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 86949406) is N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is CC(C)(NC(=O)CNC(=O)NCc1ccc(F)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is LKNDNDGQAYPXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O2/c1-19(2,15-8-7-14(22)9-16(15)20)25-17(26)11-24-18(27)23-10-12-3-5-13(21)6-4-12/h3-9H,10-11H2,1-2H3,(H,25,26)(H2,23,24,27).
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 395.84 g/mol, XLogP of 3.47, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 86949406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).