N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C22H28FN3O2 — CID 56966632

IUPACN-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FN3O2/c1-15(2)14-17-4-6-18(7-5-17)16(3)21(27)24-12-13-25-22(28)26-20-10-8-19(23)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyNJUYBBJIYPULFM-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.07
Rot. Bonds8

About N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 56966632) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID56966632
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCNC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FN3O2/c1-15(2)14-17-4-6-18(7-5-17)16(3)21(27)24-12-13-25-22(28)26-20-10-8-19(23)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyNJUYBBJIYPULFM-UHFFFAOYSA-N
XLogP4.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-(2-fluorophenyl)urea
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CID 4109111
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Phenylalaninamide
CID 445370
(3R,4R)-3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)piperidine-1-carboxamide
CID 16202915
(2S)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648348
(2S,3S)-3-{4-[1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridin-3-yl]phenyl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895733
N-(4-acetamidobut-2-ynyl)-2-[2,4-bis(trifluoromethyl)phenyl]-N-phenylacetamide
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(2S)-N-[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 56966632) is N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)NCCNC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is NJUYBBJIYPULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-15(2)14-17-4-6-18(7-5-17)16(3)21(27)24-12-13-25-22(28)26-20-10-8-19(23)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 385.48 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)carbamoylamino]ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 56966632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).