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

C23H24ClN3O2 — CID 14130472

IUPAC(2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
SMILESO=C(CCl)N[C@@H](Cc1ccccc1)C(=O)NC1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C23H24ClN3O2/c24-14-22(28)27-21(12-15-6-2-1-3-7-15)23(29)25-16-10-11-20-18(13-16)17-8-4-5-9-19(17)26-20/h1-9,16,21,26H,10-14H2,(H,25,29)(H,27,28)/t16?,21-/m0/s1
InChIKeySMBAIHOIZUNYAL-MRNPHLECSA-N
MW409.92 g/mol
LogP3.11
Rot. Bonds6

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

(2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide (PubChem CID 14130472) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
PubChem CID14130472
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name(2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
SMILESO=C(CCl)N[C@@H](Cc1ccccc1)C(=O)NC1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C23H24ClN3O2/c24-14-22(28)27-21(12-15-6-2-1-3-7-15)23(29)25-16-10-11-20-18(13-16)17-8-4-5-9-19(17)26-20/h1-9,16,21,26H,10-14H2,(H,25,29)(H,27,28)/t16?,21-/m0/s1
InChIKeySMBAIHOIZUNYAL-MRNPHLECSA-N
XLogP3.11
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 ≤ 53.11
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide (CID 14130472) is (2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide is O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)NC1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of (2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
The InChIKey is SMBAIHOIZUNYAL-MRNPHLECSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-14-22(28)27-21(12-15-6-2-1-3-7-15)23(29)25-16-10-11-20-18(13-16)17-8-4-5-9-19(17)26-20/h1-9,16,21,26H,10-14H2,(H,25,29)(H,27,28)/t16?,21-/m0/s1.
What are the key properties of (2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide?
(2S)-2-[(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 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide is sourced from PubChem (CID 14130472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).