(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide

C20H21ClN4O2 — CID 8645145

IUPAC(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
SMILESC[C@@H](NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C20H21ClN4O2/c1-12(19(26)25-20(22)27)23-10-15(13-6-2-4-8-17(13)21)16-11-24-18-9-5-3-7-14(16)18/h2-9,11-12,15,23-24H,10H2,1H3,(H3,22,25,26,27)/t12-,15-/m1/s1
InChIKeyQLTQZPNKNITOPU-IUODEOHRSA-N
MW384.87 g/mol
LogP3.13
Rot. Bonds6

About (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide

(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide (PubChem CID 8645145) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
PubChem CID8645145
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide
SMILESC[C@@H](NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C20H21ClN4O2/c1-12(19(26)25-20(22)27)23-10-15(13-6-2-4-8-17(13)21)16-11-24-18-9-5-3-7-14(16)18/h2-9,11-12,15,23-24H,10H2,1H3,(H3,22,25,26,27)/t12-,15-/m1/s1
InChIKeyQLTQZPNKNITOPU-IUODEOHRSA-N
XLogP3.13
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

(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)-N-carbamoyl-2-[[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]amino]propanamide
CID 8645365
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
(2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 51647307
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533
(2S)-2-acetamido-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 7910791
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
methyl (2S)-2-[[(2S)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]propanoate
CID 8645460
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645174
[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-[(2S)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 8645172

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide (CID 8645145) is (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide is C[C@@H](NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide?
The InChIKey is QLTQZPNKNITOPU-IUODEOHRSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-12(19(26)25-20(22)27)23-10-15(13-6-2-4-8-17(13)21)16-11-24-18-9-5-3-7-14(16)18/h2-9,11-12,15,23-24H,10H2,1H3,(H3,22,25,26,27)/t12-,15-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide?
(2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide has a molecular weight of 384.87 g/mol, XLogP of 3.13, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propanamide is sourced from PubChem (CID 8645145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).