[(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea

C15H17Cl2N3O2 — CID 122138997

IUPAC[(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea
SMILESC[C@H](NC(N)=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H17Cl2N3O2/c1-9(19-15(18)22)14(21)20-6-4-10(5-7-20)11-2-3-12(16)13(17)8-11/h2-4,8-9H,5-7H2,1H3,(H3,18,19,22)/t9-/m0/s1
InChIKeyBVZYLBADNDOXLW-VIFPVBQESA-N
MW342.23 g/mol
LogP2.67
Rot. Bonds3

About [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea

[(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea (PubChem CID 122138997) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea
PubChem CID122138997
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name[(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea
SMILESC[C@H](NC(N)=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H17Cl2N3O2/c1-9(19-15(18)22)14(21)20-6-4-10(5-7-20)11-2-3-12(16)13(17)8-11/h2-4,8-9H,5-7H2,1H3,(H3,18,19,22)/t9-/m0/s1
InChIKeyBVZYLBADNDOXLW-VIFPVBQESA-N
XLogP2.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea with MolForge

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Related Compounds

[(2S)-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 136580930
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
4-(3,4-dichlorophenyl)-N-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
CID 96564120
N-[(2S)-1-oxo-1-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]furan-3-carboxamide
CID 97254719
N-[3-methyl-1-oxo-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-yl]benzamide
CID 3903536
(2S)-2-amino-4-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 61163140
2-chloro-5-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 167761676
1-[4-[6,7-dichloro-4-(cyclopentylamino)phthalazin-1-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropan-1-one
CID 122446711
[1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 47102273
(2S)-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfonylpropan-1-one
CID 94029523
ethyl 3-[4-[2-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]phenyl]-2-ethoxypropanoate
CID 142687279
1-[4-[1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 21462981

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea?
The IUPAC name of [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea (CID 122138997) is [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea.
What is the SMILES notation for [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea?
The canonical SMILES for [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea is C[C@H](NC(N)=O)C(=O)N1CC=C(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea?
The InChIKey is BVZYLBADNDOXLW-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-9(19-15(18)22)14(21)20-6-4-10(5-7-20)11-2-3-12(16)13(17)8-11/h2-4,8-9H,5-7H2,1H3,(H3,18,19,22)/t9-/m0/s1.
What are the key properties of [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea?
[(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea has a molecular weight of 342.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]urea is sourced from PubChem (CID 122138997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).