N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide

C19H24ClNO — CID 4800552

IUPACN-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNO/c1-21(12-13-3-2-4-17(20)8-13)18(22)19-9-14-5-15(10-19)7-16(6-14)11-19/h2-4,8,14-16H,5-7,9-12H2,1H3
InChIKeySBTIDTGTQSREBA-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.51
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide

N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide (PubChem CID 4800552) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide
PubChem CID4800552
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNO/c1-21(12-13-3-2-4-17(20)8-13)18(22)19-9-14-5-15(10-19)7-16(6-14)11-19/h2-4,8,14-16H,5-7,9-12H2,1H3
InChIKeySBTIDTGTQSREBA-UHFFFAOYSA-N
XLogP4.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 4785962
N-[2-(1-adamantyl)ethyl]-2-chlorobenzamide
CID 2930799
N-(1-adamantylmethyl)-2-chlorobenzamide
CID 2933256
N-benzyladamantane-1-carboxamide
CID 3826889
N-[(adamantan-1-yl)methyl]-3-chlorobenzamide
CID 7067209
1-[4-[(3-Chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10074489
N-[(adamantan-1-yl)methyl]-2,5-dichlorobenzamide
CID 18209153
1-(1-Adamantylcarbonyl)-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine
CID 45277749
N-[(3-chlorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446658
2-(1-adamantyl)-N-[2-[4-[(5-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 145964605
Adamantanyl 4-benzylpiperazinyl ketone
CID 2998753

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide (CID 4800552) is N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide?
The InChIKey is SBTIDTGTQSREBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-21(12-13-3-2-4-17(20)8-13)18(22)19-9-14-5-15(10-19)7-16(6-14)11-19/h2-4,8,14-16H,5-7,9-12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide?
N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide has a molecular weight of 317.86 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyladamantane-1-carboxamide is sourced from PubChem (CID 4800552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).