N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide

C17H22ClN5O — CID 170580171

IUPACN-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)N[C@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C17H22ClN5O/c18-15-8-3-7-14(11-15)17(13-5-1-2-6-13)20-16(24)9-4-10-23-12-19-21-22-23/h3,7-8,11-13,17H,1-2,4-6,9-10H2,(H,20,24)/t17-/m0/s1
InChIKeyAPNCAQFFDKELNV-KRWDZBQOSA-N
MW347.85 g/mol
LogP3.15
Rot. Bonds7

About N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide

N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 170580171) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide
PubChem CID170580171
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC NameN-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CCCn1cnnn1)N[C@H](c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C17H22ClN5O/c18-15-8-3-7-14(11-15)17(13-5-1-2-6-13)20-16(24)9-4-10-23-12-19-21-22-23/h3,7-8,11-13,17H,1-2,4-6,9-10H2,(H,20,24)/t17-/m0/s1
InChIKeyAPNCAQFFDKELNV-KRWDZBQOSA-N
XLogP3.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide
CID 170580069
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 124610117
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 170580748
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 170578752
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 170579337
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)propanamide
CID 125431122
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide (CID 170580171) is N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide is O=C(CCCn1cnnn1)N[C@H](c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is APNCAQFFDKELNV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22ClN5O/c18-15-8-3-7-14(11-15)17(13-5-1-2-6-13)20-16(24)9-4-10-23-12-19-21-22-23/h3,7-8,11-13,17H,1-2,4-6,9-10H2,(H,20,24)/t17-/m0/s1.
What are the key properties of N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide?
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 347.85 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 170580171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).