3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide

C19H20Cl2N4O2 — CID 167266234

IUPAC3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCNC(=O)N[C@@H]2CCc3ccccc32)c1Cl
InChIInChI=1S/C19H20Cl2N4O2/c20-13-6-7-14(22)17(21)16(13)18(26)23-9-10-24-19(27)25-15-8-5-11-3-1-2-4-12(11)15/h1-4,6-7,15H,5,8-10,22H2,(H,23,26)(H2,24,25,27)/t15-/m1/s1
InChIKeyHNTSMIFKUVGVRJ-OAHLLOKOSA-N
MW407.30 g/mol
LogP3.29
Rot. Bonds5

About 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide

3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide (PubChem CID 167266234) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide
PubChem CID167266234
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide
SMILESNc1ccc(Cl)c(C(=O)NCCNC(=O)N[C@@H]2CCc3ccccc32)c1Cl
InChIInChI=1S/C19H20Cl2N4O2/c20-13-6-7-14(22)17(21)16(13)18(26)23-9-10-24-19(27)25-15-8-5-11-3-1-2-4-12(11)15/h1-4,6-7,15H,5,8-10,22H2,(H,23,26)(H2,24,25,27)/t15-/m1/s1
InChIKeyHNTSMIFKUVGVRJ-OAHLLOKOSA-N
XLogP3.29
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
(2S)-2-[[3-[[2-(2-amino-4-pyridinyl)acetyl]amino]-2,6-dichlorobenzoyl]amino]-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 157035647
2-[[2,6-dichloro-3-(4-phenylpyrazol-1-yl)benzoyl]amino]-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 157035829
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
1-(2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-1-ylmethyl)urea
CID 57264395
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 110887524

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide?
The IUPAC name of 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide (CID 167266234) is 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide?
The canonical SMILES for 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide is Nc1ccc(Cl)c(C(=O)NCCNC(=O)N[C@@H]2CCc3ccccc32)c1Cl.
What is the InChIKey of 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide?
The InChIKey is HNTSMIFKUVGVRJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c20-13-6-7-14(22)17(21)16(13)18(26)23-9-10-24-19(27)25-15-8-5-11-3-1-2-4-12(11)15/h1-4,6-7,15H,5,8-10,22H2,(H,23,26)(H2,24,25,27)/t15-/m1/s1.
What are the key properties of 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide?
3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide has a molecular weight of 407.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dichloro-N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 167266234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).