(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

C20H24FN3O2 — CID 32934158

IUPAC(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2/c1-14(2)18(24-20(26)23-17-9-4-3-5-10-17)19(25)22-12-11-15-7-6-8-16(21)13-15/h3-10,13-14,18H,11-12H2,1-2H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
InChIKeySQZXMCVORKOWBD-GOSISDBHSA-N
MW357.43 g/mol
LogP3.33
Rot. Bonds7

About (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide

(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide (PubChem CID 32934158) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
PubChem CID32934158
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2/c1-14(2)18(24-20(26)23-17-9-4-3-5-10-17)19(25)22-12-11-15-7-6-8-16(21)13-15/h3-10,13-14,18H,11-12H2,1-2H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
InChIKeySQZXMCVORKOWBD-GOSISDBHSA-N
XLogP3.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134061504
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32674812
3-methyl-N-(2-phenylethyl)-2-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanamide
CID 42703737
2-[(3-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61030090
(2R)-N-[(2-fluorophenyl)methyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 26002082
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981808

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The IUPAC name of (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide (CID 32934158) is (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide.
What is the SMILES notation for (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The canonical SMILES for (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide is CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
The InChIKey is SQZXMCVORKOWBD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14(2)18(24-20(26)23-17-9-4-3-5-10-17)19(25)22-12-11-15-7-6-8-16(21)13-15/h3-10,13-14,18H,11-12H2,1-2H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide?
(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide has a molecular weight of 357.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide is sourced from PubChem (CID 32934158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).