(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide

C16H23ClFN3O2 — CID 124844009

IUPAC(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
SMILESCC(C)[C@@H](NC(=O)N[C@H](C)C(=O)NCCF)c1ccccc1Cl
InChIInChI=1S/C16H23ClFN3O2/c1-10(2)14(12-6-4-5-7-13(12)17)21-16(23)20-11(3)15(22)19-9-8-18/h4-7,10-11,14H,8-9H2,1-3H3,(H,19,22)(H2,20,21,23)/t11-,14-/m1/s1
InChIKeyFMDVEGRKWRIARY-BXUZGUMPSA-N
MW343.83 g/mol
LogP2.81
Rot. Bonds7

About (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide

(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide (PubChem CID 124844009) has the molecular formula C16H23ClFN3O2 and a molecular weight of 343.83 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
PubChem CID124844009
Molecular FormulaC16H23ClFN3O2
Molecular Weight343.83 g/mol
Exact Mass343.15
IUPAC Name(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
SMILESCC(C)[C@@H](NC(=O)N[C@H](C)C(=O)NCCF)c1ccccc1Cl
InChIInChI=1S/C16H23ClFN3O2/c1-10(2)14(12-6-4-5-7-13(12)17)21-16(23)20-11(3)15(22)19-9-8-18/h4-7,10-11,14H,8-9H2,1-3H3,(H,19,22)(H2,20,21,23)/t11-,14-/m1/s1
InChIKeyFMDVEGRKWRIARY-BXUZGUMPSA-N
XLogP2.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1S)-1-(2,4-difluorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide
CID 124854398
1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea
CID 111414339
1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836525
1-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836526
4-[[1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122002394
2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119327061
(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide
CID 124854260
1-[1-(2-chlorophenyl)-2-methylpropyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71856881
N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide
CID 86954292
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
2-acetamido-N-(2-fluoroethyl)propanamide
CID 91190233
[1-(2-fluoroethylamino)-1-oxopropan-2-yl]carbamic acid
CID 90216384

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
The IUPAC name of (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide (CID 124844009) is (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide is CC(C)[C@@H](NC(=O)N[C@H](C)C(=O)NCCF)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
The InChIKey is FMDVEGRKWRIARY-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H23ClFN3O2/c1-10(2)14(12-6-4-5-7-13(12)17)21-16(23)20-11(3)15(22)19-9-8-18/h4-7,10-11,14H,8-9H2,1-3H3,(H,19,22)(H2,20,21,23)/t11-,14-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide?
(2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide has a molecular weight of 343.83 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]-N-(2-fluoroethyl)propanamide is sourced from PubChem (CID 124844009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).