N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide

C24H22Cl2N2O3 — CID 1326749

IUPACN-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-15(29)27(2)18-5-7-20(8-6-18)31-14-19(30)13-28-23-9-3-16(25)11-21(23)22-12-17(26)4-10-24(22)28/h3-12,19,30H,13-14H2,1-2H3/t19-/m1/s1
InChIKeyQRMUANGBMQEDNU-LJQANCHMSA-N
MW457.36 g/mol
LogP5.52
Rot. Bonds6

About N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide

N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide (PubChem CID 1326749) has the molecular formula C24H22Cl2N2O3 and a molecular weight of 457.36 g/mol. Its IUPAC name is N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide
PubChem CID1326749
Molecular FormulaC24H22Cl2N2O3
Molecular Weight457.36 g/mol
Exact Mass456.10
IUPAC NameN-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1
InChIInChI=1S/C24H22Cl2N2O3/c1-15(29)27(2)18-5-7-20(8-6-18)31-14-19(30)13-28-23-9-3-16(25)11-21(23)22-12-17(26)4-10-24(22)28/h3-12,19,30H,13-14H2,1-2H3/t19-/m1/s1
InChIKeyQRMUANGBMQEDNU-LJQANCHMSA-N
XLogP5.52
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide
CID 2136203
4-[(2S)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]benzaldehyde
CID 991924
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
1-bromo-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 4643646
N-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-N-methylacetamide
CID 49231615
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
1-(3-bromo-6-isocyanocarbazol-9-yl)-3-(4-bromophenoxy)propan-2-ol
CID 123275514
N-[4-[(2R)-2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propoxy]phenyl]-N-methylacetamide
CID 2140050
1-(tert-butylamino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 2802133
[(2S)-butan-2-yl]-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]azanium
CID 7478117
1-[1-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 51861101

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide (CID 1326749) is N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1.
What is the InChIKey of N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide?
The InChIKey is QRMUANGBMQEDNU-LJQANCHMSA-N. The full InChI is InChI=1S/C24H22Cl2N2O3/c1-15(29)27(2)18-5-7-20(8-6-18)31-14-19(30)13-28-23-9-3-16(25)11-21(23)22-12-17(26)4-10-24(22)28/h3-12,19,30H,13-14H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide?
N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide has a molecular weight of 457.36 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-(3,6-dichlorocarbazol-9-yl)-2-hydroxypropoxy]phenyl]-N-methylacetamide is sourced from PubChem (CID 1326749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).