(2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide

C26H25ClN4O2 — CID 51647307

IUPAC(2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide
SMILESNC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C26H25ClN4O2/c27-22-12-6-4-10-18(22)20(21-15-29-23-13-7-5-11-19(21)23)16-30-25(32)24(31-26(28)33)14-17-8-2-1-3-9-17/h1-13,15,20,24,29H,14,16H2,(H,30,32)(H3,28,31,33)/t20-,24-/m1/s1
InChIKeyYTUQFLGLGYQNQF-HYBUGGRVSA-N
MW460.97 g/mol
LogP4.35
Rot. Bonds8

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

(2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide (PubChem CID 51647307) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is (2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide
PubChem CID51647307
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name(2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide
SMILESNC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C26H25ClN4O2/c27-22-12-6-4-10-18(22)20(21-15-29-23-13-7-5-11-19(21)23)16-30-25(32)24(31-26(28)33)14-17-8-2-1-3-9-17/h1-13,15,20,24,29H,14,16H2,(H,30,32)(H3,28,31,33)/t20-,24-/m1/s1
InChIKeyYTUQFLGLGYQNQF-HYBUGGRVSA-N
XLogP4.35
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
(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
(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
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
(2S)-2-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-N-propan-2-ylpropanamide
CID 8645196
2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 2410230
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42911057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide (CID 51647307) is (2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide is NC(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide?
The InChIKey is YTUQFLGLGYQNQF-HYBUGGRVSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c27-22-12-6-4-10-18(22)20(21-15-29-23-13-7-5-11-19(21)23)16-30-25(32)24(31-26(28)33)14-17-8-2-1-3-9-17/h1-13,15,20,24,29H,14,16H2,(H,30,32)(H3,28,31,33)/t20-,24-/m1/s1.
What are the key properties of (2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide?
(2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide has a molecular weight of 460.97 g/mol, XLogP of 4.35, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carbamoylamino)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 51647307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).