2-chloro-N-heptan-2-yl-2-phenylacetamide

C15H22ClNO — CID 43578893

IUPAC2-chloro-N-heptan-2-yl-2-phenylacetamide
SMILESCCCCCC(C)NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H22ClNO/c1-3-4-6-9-12(2)17-15(18)14(16)13-10-7-5-8-11-13/h5,7-8,10-12,14H,3-4,6,9H2,1-2H3,(H,17,18)
InChIKeyZQDNQINZVPTCHJ-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.05
Rot. Bonds7

About 2-chloro-N-heptan-2-yl-2-phenylacetamide

2-chloro-N-heptan-2-yl-2-phenylacetamide (PubChem CID 43578893) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-chloro-N-heptan-2-yl-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-heptan-2-yl-2-phenylacetamide
PubChem CID43578893
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-chloro-N-heptan-2-yl-2-phenylacetamide
SMILESCCCCCC(C)NC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C15H22ClNO/c1-3-4-6-9-12(2)17-15(18)14(16)13-10-7-5-8-11-13/h5,7-8,10-12,14H,3-4,6,9H2,1-2H3,(H,17,18)
InChIKeyZQDNQINZVPTCHJ-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
CID 104897331
(2S)-N-[(2S)-heptan-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 7026339
2-[(2-chloro-2-phenylacetyl)amino]-N-propylpropanamide
CID 43697641
2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
CID 4295925
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
4-amino-N-octan-2-yl-4-phenylbutanamide
CID 63323854
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
1-chloro-1-phenylnonan-2-one
CID 81236884
1-chloro-1-phenyldecan-2-one
CID 81235866
1-phenylhexylcarbamic acid
CID 21477897
1-phenylnonylcarbamic acid
CID 67252081
1-phenyloctylcarbamic acid
CID 90271204

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-heptan-2-yl-2-phenylacetamide?
The IUPAC name of 2-chloro-N-heptan-2-yl-2-phenylacetamide (CID 43578893) is 2-chloro-N-heptan-2-yl-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-heptan-2-yl-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-heptan-2-yl-2-phenylacetamide is CCCCCC(C)NC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-heptan-2-yl-2-phenylacetamide?
The InChIKey is ZQDNQINZVPTCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-4-6-9-12(2)17-15(18)14(16)13-10-7-5-8-11-13/h5,7-8,10-12,14H,3-4,6,9H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-heptan-2-yl-2-phenylacetamide?
2-chloro-N-heptan-2-yl-2-phenylacetamide has a molecular weight of 267.80 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-heptan-2-yl-2-phenylacetamide is sourced from PubChem (CID 43578893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).