2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide

C20H21ClN4O2 — CID 18158757

IUPAC2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
SMILESCC(NC(N)=O)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C20H21ClN4O2/c1-12(25-20(22)27)19(26)24-11-15(13-6-2-4-8-17(13)21)16-10-23-18-9-5-3-7-14(16)18/h2-10,12,15,23H,11H2,1H3,(H,24,26)(H3,22,25,27)
InChIKeyVTLPAGDCPDNZDH-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.13
Rot. Bonds6

About 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide

2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 18158757) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID18158757
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
SMILESCC(NC(N)=O)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C20H21ClN4O2/c1-12(25-20(22)27)19(26)24-11-15(13-6-2-4-8-17(13)21)16-10-23-18-9-5-3-7-14(16)18/h2-10,12,15,23H,11H2,1H3,(H,24,26)(H3,22,25,27)
InChIKeyVTLPAGDCPDNZDH-UHFFFAOYSA-N
XLogP3.13
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 51647307
(2S)-2-acetamido-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 7910791
(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645145
(2S)-2-[[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 8645148
(2S)-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-N-propan-2-ylpropanamide
CID 8645196
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533
2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 120984721
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide
CID 112844805
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42911057
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide (CID 18158757) is 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide is CC(NC(N)=O)C(=O)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is VTLPAGDCPDNZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-12(25-20(22)27)19(26)24-11-15(13-6-2-4-8-17(13)21)16-10-23-18-9-5-3-7-14(16)18/h2-10,12,15,23H,11H2,1H3,(H,24,26)(H3,22,25,27).
What are the key properties of 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide?
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 384.87 g/mol, XLogP of 3.13, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 18158757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).