3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide

C23H24ClN3O2 — CID 57257831

IUPAC3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
SMILESO=C(CC(NC(=O)CCl)c1ccccc1)NC1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C23H24ClN3O2/c24-14-23(29)27-21(15-6-2-1-3-7-15)13-22(28)25-16-10-11-20-18(12-16)17-8-4-5-9-19(17)26-20/h1-9,16,21,26H,10-14H2,(H,25,28)(H,27,29)
InChIKeyZJFIZNQHAOJSLI-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.63
Rot. Bonds6

About 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide

3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide (PubChem CID 57257831) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
PubChem CID57257831
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
SMILESO=C(CC(NC(=O)CCl)c1ccccc1)NC1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C23H24ClN3O2/c24-14-23(29)27-21(15-6-2-1-3-7-15)13-22(28)25-16-10-11-20-18(12-16)17-8-4-5-9-19(17)26-20/h1-9,16,21,26H,10-14H2,(H,25,28)(H,27,29)
InChIKeyZJFIZNQHAOJSLI-UHFFFAOYSA-N
XLogP3.63
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 14130472
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide
CID 95271231
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
(3R)-N-[(1S)-1-phenylethyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 154734790
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580171
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227
3-methyl-N-[(3S)-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]butanamide
CID 92756876
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The IUPAC name of 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide (CID 57257831) is 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide.
What is the SMILES notation for 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The canonical SMILES for 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide is O=C(CC(NC(=O)CCl)c1ccccc1)NC1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The InChIKey is ZJFIZNQHAOJSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-14-23(29)27-21(15-6-2-1-3-7-15)13-22(28)25-16-10-11-20-18(12-16)17-8-4-5-9-19(17)26-20/h1-9,16,21,26H,10-14H2,(H,25,28)(H,27,29).
What are the key properties of 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide has a molecular weight of 409.92 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide is sourced from PubChem (CID 57257831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).