(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide

C23H28FN3O2 — CID 8834579

IUPAC(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C23H28FN3O2/c1-17(25-23(29)26-20-8-4-2-5-9-20)22(28)27(21-10-6-3-7-11-21)16-18-12-14-19(24)15-13-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H2,25,26,29)/t17-/m0/s1
InChIKeyZYZHUUKNBMKHOR-KRWDZBQOSA-N
MW397.49 g/mol
LogP4.70
Rot. Bonds6

About (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide

(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide (PubChem CID 8834579) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide
PubChem CID8834579
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide
SMILESC[C@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C23H28FN3O2/c1-17(25-23(29)26-20-8-4-2-5-9-20)22(28)27(21-10-6-3-7-11-21)16-18-12-14-19(24)15-13-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H2,25,26,29)/t17-/m0/s1
InChIKeyZYZHUUKNBMKHOR-KRWDZBQOSA-N
XLogP4.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
1-cyclopentyl-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea
CID 3369865
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
(2R)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(phenylcarbamoylamino)propanamide
CID 41153155
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 112795625
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772654

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide (CID 8834579) is (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide is C[C@H](NC(=O)Nc1ccccc1)C(=O)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide?
The InChIKey is ZYZHUUKNBMKHOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17(25-23(29)26-20-8-4-2-5-9-20)22(28)27(21-10-6-3-7-11-21)16-18-12-14-19(24)15-13-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H2,25,26,29)/t17-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide?
(2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide has a molecular weight of 397.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 8834579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).