N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide

C21H29ClN2O2 — CID 154874711

IUPACN-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide
SMILESO=C(CCl)NCC1(NC(=O)CCC2CCc3ccccc32)CCCCC1
InChIInChI=1S/C21H29ClN2O2/c22-14-20(26)23-15-21(12-4-1-5-13-21)24-19(25)11-10-17-9-8-16-6-2-3-7-18(16)17/h2-3,6-7,17H,1,4-5,8-15H2,(H,23,26)(H,24,25)
InChIKeyDNFDNSXLFCENSE-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.67
Rot. Bonds7

About N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide

N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide (PubChem CID 154874711) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide
PubChem CID154874711
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide
SMILESO=C(CCl)NCC1(NC(=O)CCC2CCc3ccccc32)CCCCC1
InChIInChI=1S/C21H29ClN2O2/c22-14-20(26)23-15-21(12-4-1-5-13-21)24-19(25)11-10-17-9-8-16-6-2-3-7-18(16)17/h2-3,6-7,17H,1,4-5,8-15H2,(H,23,26)(H,24,25)
InChIKeyDNFDNSXLFCENSE-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986948
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986947
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 97122248
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide
CID 97149001
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-phenylcyclobutyl)acetamide
CID 86955408
1-[[2-(2,3-dihydro-1H-inden-1-yl)acetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 86955646
N-[1-(chloromethyl)cyclopentyl]-3-phenylpropanamide
CID 114300597
2-[1-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]cyclobutyl]acetic acid
CID 119218020
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 22922689
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507
3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide
CID 90581058

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide?
The IUPAC name of N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide (CID 154874711) is N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide.
What is the SMILES notation for N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide?
The canonical SMILES for N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide is O=C(CCl)NCC1(NC(=O)CCC2CCc3ccccc32)CCCCC1.
What is the InChIKey of N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide?
The InChIKey is DNFDNSXLFCENSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c22-14-20(26)23-15-21(12-4-1-5-13-21)24-19(25)11-10-17-9-8-16-6-2-3-7-18(16)17/h2-3,6-7,17H,1,4-5,8-15H2,(H,23,26)(H,24,25).
What are the key properties of N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide?
N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide has a molecular weight of 376.93 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2-chloroacetyl)amino]methyl]cyclohexyl]-3-(2,3-dihydro-1H-inden-1-yl)propanamide is sourced from PubChem (CID 154874711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).