N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide

C20H23ClN2O3 — CID 4508582

IUPACN-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-3-6-19(24)22-15-9-10-17(21)18(13-15)23-20(25)14-7-5-8-16(12-14)26-11-4-2/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGMNDNACBGIEOTD-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.12
Rot. Bonds8

About N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide

N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide (PubChem CID 4508582) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
PubChem CID4508582
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)c1
InChIInChI=1S/C20H23ClN2O3/c1-3-6-19(24)22-15-9-10-17(21)18(13-15)23-20(25)14-7-5-8-16(12-14)26-11-4-2/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGMNDNACBGIEOTD-UHFFFAOYSA-N
XLogP5.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methoxybenzamide
CID 39184782
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
N-[4-chloro-3-[[2-[3-(3-methylbutoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54824232
2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide
CID 22780959
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[4-chloro-3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 112827932
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391

Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide?
The IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide (CID 4508582) is N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide?
The canonical SMILES for N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2cc(NC(=O)CCC)ccc2Cl)c1.
What is the InChIKey of N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide?
The InChIKey is GMNDNACBGIEOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-3-6-19(24)22-15-9-10-17(21)18(13-15)23-20(25)14-7-5-8-16(12-14)26-11-4-2/h5,7-10,12-13H,3-4,6,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide?
N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide has a molecular weight of 374.87 g/mol, XLogP of 5.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide is sourced from PubChem (CID 4508582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).