N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide

C22H29ClN2O2 — CID 34746637

IUPACN-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C22H29ClN2O2/c1-3-25(4-2)20(26)18-6-5-17(10-19(18)23)24-21(27)22-11-14-7-15(12-22)9-16(8-14)13-22/h5-6,10,14-16H,3-4,7-9,11-13H2,1-2H3,(H,24,27)
InChIKeyAJJQHSVSLQFRII-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.98
Rot. Bonds5

About N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide

N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide (PubChem CID 34746637) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide
PubChem CID34746637
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl
InChIInChI=1S/C22H29ClN2O2/c1-3-25(4-2)20(26)18-6-5-17(10-19(18)23)24-21(27)22-11-14-7-15(12-22)9-16(8-14)13-22/h5-6,10,14-16H,3-4,7-9,11-13H2,1-2H3,(H,24,27)
InChIKeyAJJQHSVSLQFRII-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672558
N-(3-amino-4-chlorophenyl)adamantane-1-carboxamide
CID 16772902
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide
CID 119712519
N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]adamantane-1-carboxamide
CID 2917667
4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55931672
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]adamantane-1-carboxamide
CID 38044635
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119712534
N-[4-(3-chloro-4-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9395723
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55673090
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787600

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide (CID 34746637) is N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide?
The InChIKey is AJJQHSVSLQFRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-3-25(4-2)20(26)18-6-5-17(10-19(18)23)24-21(27)22-11-14-7-15(12-22)9-16(8-14)13-22/h5-6,10,14-16H,3-4,7-9,11-13H2,1-2H3,(H,24,27).
What are the key properties of N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide?
N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide has a molecular weight of 388.94 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(diethylcarbamoyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 34746637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).