2-chloro-5-(heptan-2-ylamino)benzamide

C14H21ClN2O — CID 43713383

IUPAC2-chloro-5-(heptan-2-ylamino)benzamide
SMILESCCCCCC(C)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-6-10(2)17-11-7-8-13(15)12(9-11)14(16)18/h7-10,17H,3-6H2,1-2H3,(H2,16,18)
InChIKeyYSXZQWYYTLNPSW-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.82
Rot. Bonds7

About 2-chloro-5-(heptan-2-ylamino)benzamide

2-chloro-5-(heptan-2-ylamino)benzamide (PubChem CID 43713383) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-5-(heptan-2-ylamino)benzamide.

Molecular Properties

Compound Name2-chloro-5-(heptan-2-ylamino)benzamide
PubChem CID43713383
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-5-(heptan-2-ylamino)benzamide
SMILESCCCCCC(C)Nc1ccc(Cl)c(C(N)=O)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-6-10(2)17-11-7-8-13(15)12(9-11)14(16)18/h7-10,17H,3-6H2,1-2H3,(H2,16,18)
InChIKeyYSXZQWYYTLNPSW-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-4-(hexadecan-2-ylamino)phenyl]-3-oxopropanoic acid
CID 54376544
N-[2-chloro-4-(nonan-2-ylamino)phenyl]acetamide
CID 43690203
5-(heptan-2-ylamino)benzene-1,3-dicarboxamide
CID 43206266
ethyl 2-amino-5-(heptan-2-ylamino)benzoate
CID 63423299
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
4-(hexan-2-ylamino)benzamide
CID 43760421
2-fluoro-4-(octan-2-ylamino)benzenecarbothioamide
CID 115368067
3-chloro-4-fluoro-N-octan-2-ylaniline
CID 43130117
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
2-fluoro-4-(hexadecan-2-ylamino)benzoic acid
CID 20536551
2-amino-5-(5-methylhexan-2-ylamino)benzamide
CID 63925139
5-[[(2S)-2-aminopentanoyl]amino]-2-chlorobenzamide
CID 107568557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(heptan-2-ylamino)benzamide?
The IUPAC name of 2-chloro-5-(heptan-2-ylamino)benzamide (CID 43713383) is 2-chloro-5-(heptan-2-ylamino)benzamide.
What is the SMILES notation for 2-chloro-5-(heptan-2-ylamino)benzamide?
The canonical SMILES for 2-chloro-5-(heptan-2-ylamino)benzamide is CCCCCC(C)Nc1ccc(Cl)c(C(N)=O)c1.
What is the InChIKey of 2-chloro-5-(heptan-2-ylamino)benzamide?
The InChIKey is YSXZQWYYTLNPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-5-6-10(2)17-11-7-8-13(15)12(9-11)14(16)18/h7-10,17H,3-6H2,1-2H3,(H2,16,18).
What are the key properties of 2-chloro-5-(heptan-2-ylamino)benzamide?
2-chloro-5-(heptan-2-ylamino)benzamide has a molecular weight of 268.79 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(heptan-2-ylamino)benzamide is sourced from PubChem (CID 43713383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).